data_16173 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structure of the cataract causing P23T mutant of human gamma-D crystallin ; _BMRB_accession_number 16173 _BMRB_flat_file_name bmr16173.str _Entry_type original _Submission_date 2009-02-12 _Accession_date 2009-02-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jinwon . . 2 Byeon In-Ja L. . 3 Wang Yongting . . 4 King Jonathan . . 5 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1009 "13C chemical shifts" 678 "15N chemical shifts" 191 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-05-18 update BMRB 'complete entry citation' 2009-03-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of the cataract causing P23T mutant of HgD crystallin exhibits local distinctive conformational and dynamic changes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19216553 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jinwon . . 2 Byeon In-Ja L. . 3 Wang Yongting . . 4 King Jonathan . . 5 Gronenborn Angela M. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 48 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2597 _Page_last 2609 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name p23t _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p23t $p23t stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p23t _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p23t _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 182 _Mol_residue_sequence ; MKHHHHHHQGKITLYEDRGF QGRHYECSSDHTNLQPYLSR CNSARVDSGCWMLYEQPNYS GLQYFLRRGDYADHQQWMGL SDSVRSCRLIPHSGSHRIRL YEREDYRGQMIEFTEDCSCL QDRFRFNEIHSLNVLEGSWV LYELSNYRGRQYLLMPGDYR RYQDWGATNARVGSLRRVID FS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 GLN 10 GLY 11 LYS 12 ILE 13 THR 14 LEU 15 TYR 16 GLU 17 ASP 18 ARG 19 GLY 20 PHE 21 GLN 22 GLY 23 ARG 24 HIS 25 TYR 26 GLU 27 CYS 28 SER 29 SER 30 ASP 31 HIS 32 THR 33 ASN 34 LEU 35 GLN 36 PRO 37 TYR 38 LEU 39 SER 40 ARG 41 CYS 42 ASN 43 SER 44 ALA 45 ARG 46 VAL 47 ASP 48 SER 49 GLY 50 CYS 51 TRP 52 MET 53 LEU 54 TYR 55 GLU 56 GLN 57 PRO 58 ASN 59 TYR 60 SER 61 GLY 62 LEU 63 GLN 64 TYR 65 PHE 66 LEU 67 ARG 68 ARG 69 GLY 70 ASP 71 TYR 72 ALA 73 ASP 74 HIS 75 GLN 76 GLN 77 TRP 78 MET 79 GLY 80 LEU 81 SER 82 ASP 83 SER 84 VAL 85 ARG 86 SER 87 CYS 88 ARG 89 LEU 90 ILE 91 PRO 92 HIS 93 SER 94 GLY 95 SER 96 HIS 97 ARG 98 ILE 99 ARG 100 LEU 101 TYR 102 GLU 103 ARG 104 GLU 105 ASP 106 TYR 107 ARG 108 GLY 109 GLN 110 MET 111 ILE 112 GLU 113 PHE 114 THR 115 GLU 116 ASP 117 CYS 118 SER 119 CYS 120 LEU 121 GLN 122 ASP 123 ARG 124 PHE 125 ARG 126 PHE 127 ASN 128 GLU 129 ILE 130 HIS 131 SER 132 LEU 133 ASN 134 VAL 135 LEU 136 GLU 137 GLY 138 SER 139 TRP 140 VAL 141 LEU 142 TYR 143 GLU 144 LEU 145 SER 146 ASN 147 TYR 148 ARG 149 GLY 150 ARG 151 GLN 152 TYR 153 LEU 154 LEU 155 MET 156 PRO 157 GLY 158 ASP 159 TYR 160 ARG 161 ARG 162 TYR 163 GLN 164 ASP 165 TRP 166 GLY 167 ALA 168 THR 169 ASN 170 ALA 171 ARG 172 VAL 173 GLY 174 SER 175 LEU 176 ARG 177 ARG 178 VAL 179 ILE 180 ASP 181 PHE 182 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1H4A "Human Gamma-D Crystallin R58h Mutant Structure At 1.15 A Resolution" 95.05 173 98.84 98.84 2.28e-121 PDB 1HK0 "Human Gamma-D Crystallin Structure At 1.25 A Resolution" 95.05 173 99.42 99.42 2.62e-122 PDB 2G98 "Human Gamma-D-Crystallin" 95.05 173 98.84 98.84 1.34e-121 PDB 2KFB "The Structure Of The Cataract Causing P23t Mutant Of Human Gamma-d Crystallin" 100.00 182 100.00 100.00 4.02e-131 PDB 2KLJ "Solution Structure Of Gammad-Crystallin With Rdc And Saxs" 95.60 174 100.00 100.00 3.70e-124 PDB 4GR7 "The Human W42r Gamma D-crystallin Mutant Structure At 1.7a Resolution" 95.05 173 98.84 98.84 1.06e-120 PDB 4JGF "Crystal Structure Of The Cataract-causing P23t Gamma D-crystallin Mutant" 93.96 171 100.00 100.00 8.24e-122 GB AAA52112 "gamma-D-crystallin [Homo sapiens]" 95.05 174 98.84 99.42 1.02e-121 GB AAB38686 "gammaD-crystallin [Homo sapiens]" 95.05 174 99.42 99.42 2.66e-122 GB AAI17339 "Crystallin, gamma D [Homo sapiens]" 95.05 174 99.42 99.42 2.66e-122 GB AAI17341 "Crystallin, gamma D [Homo sapiens]" 95.05 174 99.42 99.42 2.66e-122 GB AAY24041 "unknown [Homo sapiens]" 95.05 174 99.42 99.42 2.66e-122 REF NP_001129137 "gamma-crystallin D [Pan troglodytes]" 95.05 174 99.42 99.42 2.66e-122 REF NP_008822 "gamma-crystallin D [Homo sapiens]" 95.05 174 99.42 99.42 2.66e-122 REF XP_003820863 "PREDICTED: gamma-crystallin D [Pan paniscus]" 95.05 174 98.84 99.42 5.23e-122 REF XP_004033174 "PREDICTED: gamma-crystallin D [Gorilla gorilla gorilla]" 95.05 174 99.42 99.42 2.66e-122 SP P07320 "RecName: Full=Gamma-crystallin D; AltName: Full=Gamma-D-crystallin; AltName: Full=Gamma-crystallin 4" 95.05 174 99.42 99.42 2.66e-122 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p23t Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $p23t 'recombinant technology' . Escherichia coli BL21 (DE3) pET16b 'Rosetta 2' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p23t 0.2-0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DTT 5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p23t 0.2-0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DTT 5 mM 'natural abundance' D2O 5 % [U-2H] H2O 5 % [U-2H] 'Pentaethylene glycol monododecyl ether' 5 % 'natural abundance' hexanol 5.2 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task 'geometry optimization' 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.025333 . M pH 6.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name p23t _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 9 GLN H H 8.262 0.020 1 2 1 9 GLN HA H 4.320 0.020 1 3 1 9 GLN HB2 H 1.977 0.020 2 4 1 9 GLN HB3 H 1.826 0.020 2 5 1 9 GLN HG2 H 1.822 0.020 2 6 1 9 GLN HG3 H 1.822 0.020 2 7 1 9 GLN C C 175.058 0.400 1 8 1 9 GLN CA C 55.407 0.400 1 9 1 9 GLN CB C 30.543 0.400 1 10 1 9 GLN N N 121.552 0.400 1 11 2 10 GLY H H 8.281 0.020 1 12 2 10 GLY HA2 H 4.079 0.020 2 13 2 10 GLY HA3 H 3.456 0.020 2 14 2 10 GLY C C 171.835 0.400 1 15 2 10 GLY CA C 45.315 0.400 1 16 2 10 GLY N N 109.579 0.400 1 17 3 11 LYS H H 8.477 0.020 1 18 3 11 LYS HA H 4.956 0.020 1 19 3 11 LYS HB2 H 1.573 0.020 2 20 3 11 LYS HB3 H 1.752 0.020 2 21 3 11 LYS HG2 H 1.155 0.020 2 22 3 11 LYS HG3 H 1.074 0.020 2 23 3 11 LYS C C 172.848 0.400 1 24 3 11 LYS CA C 57.377 0.400 1 25 3 11 LYS CB C 35.212 0.400 1 26 3 11 LYS N N 122.891 0.400 1 27 4 12 ILE H H 8.567 0.020 1 28 4 12 ILE HA H 4.688 0.020 1 29 4 12 ILE HB H -0.148 0.020 1 30 4 12 ILE HD1 H -0.755 0.020 1 31 4 12 ILE HG12 H 0.843 0.020 2 32 4 12 ILE HG13 H 0.189 0.020 2 33 4 12 ILE HG2 H -0.175 0.020 1 34 4 12 ILE C C 171.178 0.400 1 35 4 12 ILE CA C 58.641 0.400 1 36 4 12 ILE CB C 41.136 0.400 1 37 4 12 ILE CD1 C 13.045 0.400 1 38 4 12 ILE CG1 C 28.287 0.400 1 39 4 12 ILE CG2 C 15.088 0.400 1 40 4 12 ILE N N 127.973 0.400 1 41 5 13 THR H H 8.290 0.020 1 42 5 13 THR HA H 4.641 0.020 1 43 5 13 THR HB H 3.736 0.020 1 44 5 13 THR HG2 H 0.498 0.020 1 45 5 13 THR C C 172.297 0.400 1 46 5 13 THR CA C 61.894 0.400 1 47 5 13 THR CB C 69.176 0.400 1 48 5 13 THR CG2 C 20.728 0.400 1 49 5 13 THR N N 122.022 0.400 1 50 6 14 LEU H H 8.494 0.020 1 51 6 14 LEU HA H 4.627 0.020 1 52 6 14 LEU HB2 H 1.662 0.020 2 53 6 14 LEU HB3 H 1.662 0.020 2 54 6 14 LEU HD1 H 0.577 0.020 2 55 6 14 LEU HD2 H 0.476 0.020 2 56 6 14 LEU HG H 1.245 0.020 1 57 6 14 LEU C C 174.814 0.400 1 58 6 14 LEU CA C 53.615 0.400 1 59 6 14 LEU CB C 44.521 0.400 1 60 6 14 LEU CD1 C 26.685 0.400 1 61 6 14 LEU CD2 C 23.554 0.400 1 62 6 14 LEU CG C 27.271 0.400 1 63 6 14 LEU N N 128.029 0.400 1 64 7 15 TYR H H 8.606 0.020 1 65 7 15 TYR HA H 5.074 0.020 1 66 7 15 TYR HB2 H 3.252 0.020 2 67 7 15 TYR HB3 H 3.252 0.020 2 68 7 15 TYR HD1 H 6.588 0.020 1 69 7 15 TYR HD2 H 6.588 0.020 1 70 7 15 TYR HE1 H 6.812 0.020 1 71 7 15 TYR HE2 H 6.812 0.020 1 72 7 15 TYR C C 177.455 0.400 1 73 7 15 TYR CA C 56.814 0.400 1 74 7 15 TYR CB C 40.025 0.400 1 75 7 15 TYR N N 118.444 0.400 1 76 8 16 GLU H H 9.142 0.020 1 77 8 16 GLU HA H 4.431 0.020 1 78 8 16 GLU HB2 H 2.032 0.020 2 79 8 16 GLU HB3 H 1.865 0.020 2 80 8 16 GLU HG2 H 2.705 0.020 2 81 8 16 GLU HG3 H 2.705 0.020 2 82 8 16 GLU C C 176.629 0.400 1 83 8 16 GLU CA C 59.020 0.400 1 84 8 16 GLU CB C 31.004 0.400 1 85 8 16 GLU CG C 38.850 0.400 1 86 8 16 GLU N N 119.287 0.400 1 87 9 17 ASP H H 7.773 0.020 1 88 9 17 ASP HA H 5.279 0.020 1 89 9 17 ASP HB2 H 2.613 0.020 2 90 9 17 ASP HB3 H 2.208 0.020 2 91 9 17 ASP C C 175.613 0.400 1 92 9 17 ASP CA C 52.373 0.400 1 93 9 17 ASP CB C 43.587 0.400 1 94 9 17 ASP N N 114.488 0.400 1 95 10 18 ARG H H 8.632 0.020 1 96 10 18 ARG HA H 3.748 0.020 1 97 10 18 ARG HB2 H 1.648 0.020 2 98 10 18 ARG HB3 H 1.846 0.020 2 99 10 18 ARG HG2 H 1.428 0.020 2 100 10 18 ARG HG3 H 1.630 0.020 2 101 10 18 ARG C C 177.198 0.400 1 102 10 18 ARG CA C 56.274 0.400 1 103 10 18 ARG CB C 30.101 0.400 1 104 10 18 ARG CG C 27.193 0.400 1 105 10 18 ARG N N 119.097 0.400 1 106 11 19 GLY H H 8.848 0.020 1 107 11 19 GLY HA2 H 3.340 0.020 2 108 11 19 GLY HA3 H 2.734 0.020 2 109 11 19 GLY C C 174.221 0.400 1 110 11 19 GLY CA C 46.944 0.400 1 111 11 19 GLY N N 105.922 0.400 1 112 12 20 PHE H H 7.757 0.020 1 113 12 20 PHE HA H 2.489 0.020 1 114 12 20 PHE HB2 H 2.877 0.020 2 115 12 20 PHE HB3 H 1.879 0.020 2 116 12 20 PHE HD1 H 6.596 0.020 1 117 12 20 PHE HD2 H 6.596 0.020 1 118 12 20 PHE HE1 H 7.104 0.020 1 119 12 20 PHE HE2 H 7.104 0.020 1 120 12 20 PHE HZ H 6.815 0.020 1 121 12 20 PHE C C 174.436 0.400 1 122 12 20 PHE CA C 55.789 0.400 1 123 12 20 PHE CB C 35.063 0.400 1 124 12 20 PHE CD1 C 131.234 0.400 1 125 12 20 PHE N N 114.284 0.400 1 126 13 21 GLN H H 6.012 0.020 1 127 13 21 GLN HA H 4.550 0.020 1 128 13 21 GLN HB2 H 2.143 0.020 2 129 13 21 GLN HB3 H 1.632 0.020 2 130 13 21 GLN HG2 H 2.226 0.020 2 131 13 21 GLN HG3 H 2.130 0.020 2 132 13 21 GLN C C 174.292 0.400 1 133 13 21 GLN CA C 53.544 0.400 1 134 13 21 GLN CB C 32.604 0.400 1 135 13 21 GLN CG C 33.648 0.400 1 136 13 21 GLN N N 116.315 0.400 1 137 14 22 GLY H H 8.252 0.020 1 138 14 22 GLY HA2 H 4.354 0.020 2 139 14 22 GLY HA3 H 3.745 0.020 2 140 14 22 GLY C C 174.453 0.400 1 141 14 22 GLY CA C 44.271 0.400 1 142 14 22 GLY N N 104.949 0.400 1 143 15 23 ARG H H 8.571 0.020 1 144 15 23 ARG HA H 4.086 0.020 1 145 15 23 ARG HB2 H 1.635 0.020 2 146 15 23 ARG HB3 H 1.635 0.020 2 147 15 23 ARG C C 174.317 0.400 1 148 15 23 ARG CA C 57.825 0.400 1 149 15 23 ARG CB C 30.513 0.400 1 150 15 23 ARG N N 121.035 0.400 1 151 16 24 HIS H H 8.217 0.020 1 152 16 24 HIS HA H 5.787 0.020 1 153 16 24 HIS HB2 H 2.592 0.020 2 154 16 24 HIS HB3 H 1.993 0.020 2 155 16 24 HIS HD2 H 6.732 0.020 1 156 16 24 HIS HE1 H 8.347 0.020 1 157 16 24 HIS C C 173.877 0.400 1 158 16 24 HIS CA C 52.983 0.400 1 159 16 24 HIS CB C 33.454 0.400 1 160 16 24 HIS CD2 C 120.444 0.400 1 161 16 24 HIS N N 117.646 0.400 1 162 17 25 TYR H H 8.814 0.020 1 163 17 25 TYR HA H 4.518 0.020 1 164 17 25 TYR HB2 H 2.717 0.020 2 165 17 25 TYR HB3 H 2.242 0.020 2 166 17 25 TYR HD1 H 6.527 0.020 1 167 17 25 TYR HD2 H 6.527 0.020 1 168 17 25 TYR HE1 H 5.916 0.020 1 169 17 25 TYR HE2 H 5.916 0.020 1 170 17 25 TYR C C 172.386 0.400 1 171 17 25 TYR CA C 57.834 0.400 1 172 17 25 TYR CB C 42.980 0.400 1 173 17 25 TYR CD1 C 131.986 0.400 1 174 17 25 TYR CE1 C 118.164 0.400 1 175 17 25 TYR N N 121.210 0.400 1 176 18 26 GLU H H 7.503 0.020 1 177 18 26 GLU HA H 4.743 0.020 1 178 18 26 GLU HB2 H 1.634 0.020 2 179 18 26 GLU HB3 H 1.545 0.020 2 180 18 26 GLU HG2 H 1.783 0.020 2 181 18 26 GLU HG3 H 1.888 0.020 2 182 18 26 GLU C C 174.116 0.400 1 183 18 26 GLU CA C 54.247 0.400 1 184 18 26 GLU CB C 31.976 0.400 1 185 18 26 GLU CG C 36.532 0.400 1 186 18 26 GLU N N 128.600 0.400 1 187 19 27 CYS H H 8.799 0.020 1 188 19 27 CYS HA H 4.425 0.020 1 189 19 27 CYS HB2 H 2.306 0.020 2 190 19 27 CYS HB3 H 2.761 0.020 2 191 19 27 CYS C C 173.349 0.400 1 192 19 27 CYS CA C 57.220 0.400 1 193 19 27 CYS CB C 29.764 0.400 1 194 19 27 CYS N N 121.311 0.400 1 195 20 28 SER H H 9.131 0.020 1 196 20 28 SER HA H 5.162 0.020 1 197 20 28 SER HB2 H 3.842 0.020 2 198 20 28 SER HB3 H 4.111 0.020 2 199 20 28 SER C C 172.744 0.400 1 200 20 28 SER CA C 57.392 0.400 1 201 20 28 SER CB C 65.006 0.400 1 202 20 28 SER N N 116.512 0.400 1 203 21 29 SER H H 7.958 0.020 1 204 21 29 SER HA H 4.502 0.020 1 205 21 29 SER HB2 H 3.950 0.020 2 206 21 29 SER HB3 H 3.862 0.020 2 207 21 29 SER C C 172.694 0.400 1 208 21 29 SER CA C 56.783 0.400 1 209 21 29 SER CB C 65.275 0.400 1 210 21 29 SER N N 114.107 0.400 1 211 22 30 ASP H H 8.242 0.020 1 212 22 30 ASP HA H 4.835 0.020 1 213 22 30 ASP HB2 H 3.442 0.020 2 214 22 30 ASP HB3 H 2.479 0.020 2 215 22 30 ASP C C 176.913 0.400 1 216 22 30 ASP CA C 56.112 0.400 1 217 22 30 ASP CB C 40.186 0.400 1 218 22 30 ASP N N 120.947 0.400 1 219 23 31 HIS H H 9.453 0.020 1 220 23 31 HIS HA H 4.848 0.020 1 221 23 31 HIS HB2 H 2.951 0.020 2 222 23 31 HIS HB3 H 3.236 0.020 2 223 23 31 HIS HD2 H 7.004 0.020 1 224 23 31 HIS HE1 H 8.103 0.020 1 225 23 31 HIS C C 174.778 0.400 1 226 23 31 HIS CA C 56.373 0.400 1 227 23 31 HIS CB C 33.625 0.400 1 228 23 31 HIS CD2 C 123.194 0.400 1 229 23 31 HIS CE1 C 139.377 0.400 1 230 23 31 HIS N N 122.450 0.400 1 231 24 32 THR H H 8.416 0.020 1 232 24 32 THR HA H 3.522 0.020 1 233 24 32 THR HB H 4.108 0.020 1 234 24 32 THR HG2 H 1.095 0.020 1 235 24 32 THR C C 175.264 0.400 1 236 24 32 THR CA C 63.622 0.400 1 237 24 32 THR CB C 69.610 0.400 1 238 24 32 THR CG2 C 21.841 0.400 1 239 24 32 THR N N 115.672 0.400 1 240 25 33 ASN H H 8.395 0.020 1 241 25 33 ASN HA H 5.226 0.020 1 242 25 33 ASN HB2 H 2.913 0.020 2 243 25 33 ASN HB3 H 2.774 0.020 2 244 25 33 ASN HD21 H 6.973 0.020 2 245 25 33 ASN HD22 H 7.460 0.020 2 246 25 33 ASN C C 175.422 0.400 1 247 25 33 ASN CA C 53.201 0.400 1 248 25 33 ASN CB C 38.241 0.400 1 249 25 33 ASN N N 117.565 0.400 1 250 25 33 ASN ND2 N 110.053 0.400 1 251 26 34 LEU H H 8.569 0.020 1 252 26 34 LEU HA H 4.250 0.020 1 253 26 34 LEU HB2 H 1.311 0.020 2 254 26 34 LEU HB3 H 1.512 0.020 2 255 26 34 LEU HD1 H 0.521 0.020 2 256 26 34 LEU HD2 H 0.484 0.020 2 257 26 34 LEU HG H 1.250 0.020 1 258 26 34 LEU C C 176.921 0.400 1 259 26 34 LEU CA C 54.508 0.400 1 260 26 34 LEU CB C 43.919 0.400 1 261 26 34 LEU CD1 C 23.595 0.400 1 262 26 34 LEU CD2 C 25.810 0.400 1 263 26 34 LEU N N 124.325 0.400 1 264 27 35 GLN H H 8.011 0.020 1 265 27 35 GLN HA H 4.236 0.020 1 266 27 35 GLN HB2 H 2.019 0.020 2 267 27 35 GLN HB3 H 2.143 0.020 2 268 27 35 GLN HG2 H 2.240 0.020 2 269 27 35 GLN HG3 H 2.434 0.020 2 270 27 35 GLN CA C 60.071 0.400 1 271 27 35 GLN CB C 27.897 0.400 1 272 27 35 GLN CG C 35.358 0.400 1 273 27 35 GLN N N 119.430 0.400 1 274 28 36 PRO HA H 3.915 0.020 1 275 28 36 PRO HB2 H 0.063 0.020 2 276 28 36 PRO HB3 H 1.782 0.020 2 277 28 36 PRO HD2 H 2.912 0.020 2 278 28 36 PRO HD3 H 3.228 0.020 2 279 28 36 PRO HG2 H 1.485 0.020 2 280 28 36 PRO HG3 H 1.485 0.020 2 281 28 36 PRO C C 175.686 0.400 1 282 28 36 PRO CA C 64.538 0.400 1 283 28 36 PRO CB C 30.628 0.400 1 284 28 36 PRO CD C 50.411 0.400 1 285 28 36 PRO CG C 27.713 0.400 1 286 29 37 TYR H H 7.219 0.020 1 287 29 37 TYR HA H 4.143 0.020 1 288 29 37 TYR HB2 H 2.366 0.020 2 289 29 37 TYR HB3 H 1.694 0.020 2 290 29 37 TYR HD1 H 6.495 0.020 1 291 29 37 TYR HD2 H 6.495 0.020 1 292 29 37 TYR HE1 H 6.707 0.020 1 293 29 37 TYR HE2 H 6.707 0.020 1 294 29 37 TYR C C 174.518 0.400 1 295 29 37 TYR CA C 56.744 0.400 1 296 29 37 TYR CB C 40.127 0.400 1 297 29 37 TYR CD1 C 132.691 0.400 1 298 29 37 TYR CE1 C 117.663 0.400 1 299 29 37 TYR N N 114.320 0.400 1 300 30 38 LEU H H 7.431 0.020 1 301 30 38 LEU HA H 4.487 0.020 1 302 30 38 LEU HB2 H 1.204 0.020 2 303 30 38 LEU HB3 H 1.604 0.020 2 304 30 38 LEU HD1 H 0.751 0.020 2 305 30 38 LEU HD2 H 0.770 0.020 2 306 30 38 LEU HG H 1.407 0.020 1 307 30 38 LEU C C 176.056 0.400 1 308 30 38 LEU CA C 54.378 0.400 1 309 30 38 LEU CB C 45.973 0.400 1 310 30 38 LEU CD1 C 25.634 0.400 1 311 30 38 LEU CD2 C 27.063 0.400 1 312 30 38 LEU CG C 26.950 0.400 1 313 30 38 LEU N N 117.314 0.400 1 314 31 39 SER H H 10.018 0.020 1 315 31 39 SER HA H 4.448 0.020 1 316 31 39 SER HB2 H 3.728 0.020 2 317 31 39 SER HB3 H 3.771 0.020 2 318 31 39 SER C C 173.186 0.400 1 319 31 39 SER CA C 59.661 0.400 1 320 31 39 SER CB C 64.245 0.400 1 321 31 39 SER N N 120.582 0.400 1 322 32 40 ARG H H 7.830 0.020 1 323 32 40 ARG HA H 4.628 0.020 1 324 32 40 ARG HB2 H 2.011 0.020 2 325 32 40 ARG C C 173.425 0.400 1 326 32 40 ARG CA C 54.706 0.400 1 327 32 40 ARG CB C 29.988 0.400 1 328 32 40 ARG N N 116.614 0.400 1 329 33 41 CYS H H 9.467 0.020 1 330 33 41 CYS HA H 5.076 0.020 1 331 33 41 CYS HB2 H 2.513 0.020 2 332 33 41 CYS HB3 H 2.513 0.020 2 333 33 41 CYS HG H 1.730 0.020 1 334 33 41 CYS C C 172.474 0.400 1 335 33 41 CYS CA C 58.636 0.400 1 336 33 41 CYS CB C 28.364 0.400 1 337 33 41 CYS N N 118.172 0.400 1 338 34 42 ASN H H 8.496 0.020 1 339 34 42 ASN HA H 4.997 0.020 1 340 34 42 ASN HB2 H 2.631 0.020 2 341 34 42 ASN HB3 H 2.119 0.020 2 342 34 42 ASN C C 173.091 0.400 1 343 34 42 ASN CA C 53.310 0.400 1 344 34 42 ASN CB C 43.822 0.400 1 345 34 42 ASN N N 121.950 0.400 1 346 35 43 SER H H 8.217 0.020 1 347 35 43 SER HA H 4.568 0.020 1 348 35 43 SER HB2 H 4.091 0.020 2 349 35 43 SER HB3 H 3.746 0.020 2 350 35 43 SER C C 172.897 0.400 1 351 35 43 SER CA C 59.810 0.400 1 352 35 43 SER CB C 64.819 0.400 1 353 35 43 SER N N 107.043 0.400 1 354 36 44 ALA H H 9.508 0.020 1 355 36 44 ALA HA H 5.673 0.020 1 356 36 44 ALA HB H 0.925 0.020 1 357 36 44 ALA C C 175.601 0.400 1 358 36 44 ALA CA C 52.113 0.400 1 359 36 44 ALA CB C 22.827 0.400 1 360 36 44 ALA N N 118.602 0.400 1 361 37 45 ARG H H 9.287 0.020 1 362 37 45 ARG HA H 5.075 0.020 1 363 37 45 ARG HB2 H 1.527 0.020 2 364 37 45 ARG HB3 H 1.681 0.020 2 365 37 45 ARG HD2 H 2.822 0.020 2 366 37 45 ARG HD3 H 2.723 0.020 2 367 37 45 ARG HG2 H 1.106 0.020 2 368 37 45 ARG HG3 H 1.418 0.020 2 369 37 45 ARG C C 175.687 0.400 1 370 37 45 ARG CA C 55.710 0.400 1 371 37 45 ARG CB C 32.727 0.400 1 372 37 45 ARG CD C 43.176 0.400 1 373 37 45 ARG CG C 27.990 0.400 1 374 37 45 ARG N N 121.339 0.400 1 375 38 46 VAL H H 9.522 0.020 1 376 38 46 VAL HA H 4.137 0.020 1 377 38 46 VAL HB H 2.599 0.020 1 378 38 46 VAL HG1 H 0.775 0.020 2 379 38 46 VAL HG2 H 0.586 0.020 2 380 38 46 VAL C C 175.804 0.400 1 381 38 46 VAL CA C 62.038 0.400 1 382 38 46 VAL CB C 31.436 0.400 1 383 38 46 VAL CG1 C 23.043 0.400 1 384 38 46 VAL CG2 C 21.242 0.400 1 385 38 46 VAL N N 129.529 0.400 1 386 39 47 ASP H H 8.223 0.020 1 387 39 47 ASP HA H 4.557 0.020 1 388 39 47 ASP HB2 H 2.426 0.020 2 389 39 47 ASP HB3 H 2.561 0.020 2 390 39 47 ASP C C 175.986 0.400 1 391 39 47 ASP CA C 56.620 0.400 1 392 39 47 ASP CB C 43.572 0.400 1 393 39 47 ASP N N 129.780 0.400 1 394 40 48 SER H H 8.071 0.020 1 395 40 48 SER HA H 4.441 0.020 1 396 40 48 SER HB2 H 3.940 0.020 2 397 40 48 SER HB3 H 3.721 0.020 2 398 40 48 SER C C 174.591 0.400 1 399 40 48 SER CA C 58.069 0.400 1 400 40 48 SER CB C 64.125 0.400 1 401 40 48 SER N N 108.455 0.400 1 402 41 49 GLY H H 8.658 0.020 1 403 41 49 GLY HA2 H 3.679 0.020 2 404 41 49 GLY HA3 H 3.985 0.020 2 405 41 49 GLY C C 171.208 0.400 1 406 41 49 GLY CA C 44.026 0.400 1 407 41 49 GLY N N 112.711 0.400 1 408 42 50 CYS H H 8.103 0.020 1 409 42 50 CYS HA H 4.759 0.020 1 410 42 50 CYS HB2 H 2.550 0.020 2 411 42 50 CYS HB3 H 2.632 0.020 2 412 42 50 CYS C C 172.615 0.400 1 413 42 50 CYS CA C 57.725 0.400 1 414 42 50 CYS CB C 30.444 0.400 1 415 42 50 CYS N N 116.065 0.400 1 416 43 51 TRP H H 8.740 0.020 1 417 43 51 TRP HA H 5.138 0.020 1 418 43 51 TRP HB2 H 2.309 0.020 2 419 43 51 TRP HB3 H 2.700 0.020 2 420 43 51 TRP HD1 H 6.555 0.020 1 421 43 51 TRP HE1 H 9.189 0.020 1 422 43 51 TRP HE3 H 6.996 0.020 1 423 43 51 TRP HH2 H 6.445 0.020 1 424 43 51 TRP HZ2 H 6.742 0.020 1 425 43 51 TRP HZ3 H 6.673 0.020 1 426 43 51 TRP C C 173.077 0.400 1 427 43 51 TRP CA C 55.464 0.400 1 428 43 51 TRP CB C 32.927 0.400 1 429 43 51 TRP CD1 C 126.239 0.400 1 430 43 51 TRP CH2 C 124.710 0.400 1 431 43 51 TRP CZ2 C 114.026 0.400 1 432 43 51 TRP CZ3 C 122.358 0.400 1 433 43 51 TRP N N 122.681 0.400 1 434 43 51 TRP NE1 N 125.304 0.400 1 435 44 52 MET H H 9.397 0.020 1 436 44 52 MET HA H 5.442 0.020 1 437 44 52 MET HB2 H 2.343 0.020 2 438 44 52 MET HB3 H 1.159 0.020 2 439 44 52 MET HE H 1.700 0.020 1 440 44 52 MET HG2 H 1.684 0.020 2 441 44 52 MET HG3 H 2.479 0.020 2 442 44 52 MET C C 175.615 0.400 1 443 44 52 MET CA C 52.666 0.400 1 444 44 52 MET CB C 35.476 0.400 1 445 44 52 MET CE C 18.414 0.400 1 446 44 52 MET CG C 31.990 0.400 1 447 44 52 MET N N 122.861 0.400 1 448 45 53 LEU H H 9.620 0.020 1 449 45 53 LEU HA H 4.684 0.020 1 450 45 53 LEU HB2 H 1.353 0.020 2 451 45 53 LEU HB3 H 1.437 0.020 2 452 45 53 LEU HD1 H 0.236 0.020 2 453 45 53 LEU HD2 H -0.196 0.020 2 454 45 53 LEU HG H 1.258 0.020 1 455 45 53 LEU C C 175.427 0.400 1 456 45 53 LEU CA C 53.810 0.400 1 457 45 53 LEU CB C 43.026 0.400 1 458 45 53 LEU CD1 C 22.104 0.400 1 459 45 53 LEU CD2 C 23.610 0.400 1 460 45 53 LEU CG C 27.607 0.400 1 461 45 53 LEU N N 127.516 0.400 1 462 46 54 TYR H H 8.249 0.020 1 463 46 54 TYR HA H 5.424 0.020 1 464 46 54 TYR HB2 H 3.378 0.020 2 465 46 54 TYR HB3 H 3.111 0.020 2 466 46 54 TYR HD1 H 6.532 0.020 1 467 46 54 TYR HD2 H 6.532 0.020 1 468 46 54 TYR HE1 H 6.893 0.020 1 469 46 54 TYR HE2 H 6.893 0.020 1 470 46 54 TYR C C 176.959 0.400 1 471 46 54 TYR CA C 56.382 0.400 1 472 46 54 TYR CB C 39.805 0.400 1 473 46 54 TYR N N 115.752 0.400 1 474 47 55 GLU H H 9.223 0.020 1 475 47 55 GLU HA H 4.367 0.020 1 476 47 55 GLU HB2 H 2.332 0.020 2 477 47 55 GLU HB3 H 2.332 0.020 2 478 47 55 GLU HG2 H 2.318 0.020 2 479 47 55 GLU HG3 H 2.603 0.020 2 480 47 55 GLU C C 175.748 0.400 1 481 47 55 GLU CA C 57.698 0.400 1 482 47 55 GLU CB C 33.062 0.400 1 483 47 55 GLU CG C 35.794 0.400 1 484 47 55 GLU N N 122.789 0.400 1 485 48 56 GLN H H 7.895 0.020 1 486 48 56 GLN HA H 4.859 0.020 1 487 48 56 GLN HB2 H 1.406 0.020 2 488 48 56 GLN HB3 H 2.043 0.020 2 489 48 56 GLN HE21 H 7.238 0.020 2 490 48 56 GLN HE22 H 6.667 0.020 2 491 48 56 GLN HG2 H 2.162 0.020 2 492 48 56 GLN HG3 H 2.264 0.020 2 493 48 56 GLN CA C 53.015 0.400 1 494 48 56 GLN CB C 28.538 0.400 1 495 48 56 GLN CG C 32.228 0.400 1 496 48 56 GLN N N 111.273 0.400 1 497 48 56 GLN NE2 N 110.521 0.400 1 498 49 57 PRO HA H 4.115 0.020 1 499 49 57 PRO HB2 H 1.712 0.020 2 500 49 57 PRO HB3 H 2.340 0.020 2 501 49 57 PRO HD2 H 3.523 0.020 2 502 49 57 PRO HD3 H 3.560 0.020 2 503 49 57 PRO HG2 H 1.977 0.020 2 504 49 57 PRO C C 175.347 0.400 1 505 49 57 PRO CA C 62.296 0.400 1 506 49 57 PRO CB C 32.399 0.400 1 507 49 57 PRO CD C 51.207 0.400 1 508 49 57 PRO CG C 27.978 0.400 1 509 50 58 ASN H H 9.741 0.020 1 510 50 58 ASN HA H 3.252 0.020 1 511 50 58 ASN HB2 H 2.565 0.020 2 512 50 58 ASN HB3 H 2.650 0.020 2 513 50 58 ASN HD21 H 7.422 0.020 2 514 50 58 ASN HD22 H 6.675 0.020 2 515 50 58 ASN C C 173.777 0.400 1 516 50 58 ASN CA C 53.737 0.400 1 517 50 58 ASN CB C 36.416 0.400 1 518 50 58 ASN N N 113.987 0.400 1 519 50 58 ASN ND2 N 113.274 0.400 1 520 51 59 TYR H H 7.767 0.020 1 521 51 59 TYR HA H 2.720 0.020 1 522 51 59 TYR HB2 H 1.729 0.020 2 523 51 59 TYR HB3 H 2.774 0.020 2 524 51 59 TYR HD1 H 6.460 0.020 1 525 51 59 TYR HD2 H 6.460 0.020 1 526 51 59 TYR HE1 H 6.608 0.020 1 527 51 59 TYR HE2 H 6.608 0.020 1 528 51 59 TYR C C 174.898 0.400 1 529 51 59 TYR CA C 55.265 0.400 1 530 51 59 TYR CB C 34.077 0.400 1 531 51 59 TYR CD1 C 132.354 0.400 1 532 51 59 TYR CE1 C 118.283 0.400 1 533 51 59 TYR N N 113.164 0.400 1 534 52 60 SER H H 6.271 0.020 1 535 52 60 SER HA H 4.895 0.020 1 536 52 60 SER HB2 H 3.636 0.020 2 537 52 60 SER HB3 H 3.636 0.020 2 538 52 60 SER C C 172.524 0.400 1 539 52 60 SER CA C 56.779 0.400 1 540 52 60 SER CB C 65.883 0.400 1 541 52 60 SER N N 112.475 0.400 1 542 53 61 GLY H H 8.367 0.020 1 543 53 61 GLY HA2 H 3.779 0.020 2 544 53 61 GLY HA3 H 4.198 0.020 2 545 53 61 GLY C C 173.732 0.400 1 546 53 61 GLY CA C 44.342 0.400 1 547 53 61 GLY N N 107.347 0.400 1 548 54 62 LEU H H 8.300 0.020 1 549 54 62 LEU HA H 3.997 0.020 1 550 54 62 LEU HB2 H 1.196 0.020 2 551 54 62 LEU HB3 H 1.605 0.020 2 552 54 62 LEU HD1 H 0.995 0.020 2 553 54 62 LEU HD2 H 0.890 0.020 2 554 54 62 LEU HG H 1.714 0.020 1 555 54 62 LEU C C 174.493 0.400 1 556 54 62 LEU CA C 56.602 0.400 1 557 54 62 LEU CB C 42.645 0.400 1 558 54 62 LEU CD1 C 26.325 0.400 1 559 54 62 LEU CD2 C 22.712 0.400 1 560 54 62 LEU CG C 27.687 0.400 1 561 54 62 LEU N N 121.003 0.400 1 562 55 63 GLN H H 7.180 0.020 1 563 55 63 GLN HA H 4.740 0.020 1 564 55 63 GLN HB2 H 1.415 0.020 2 565 55 63 GLN HB3 H 1.291 0.020 2 566 55 63 GLN HE21 H 8.043 0.020 2 567 55 63 GLN HE22 H 7.742 0.020 2 568 55 63 GLN HG2 H 2.163 0.020 2 569 55 63 GLN HG3 H 2.381 0.020 2 570 55 63 GLN C C 175.667 0.400 1 571 55 63 GLN CA C 52.536 0.400 1 572 55 63 GLN CB C 31.466 0.400 1 573 55 63 GLN CG C 33.596 0.400 1 574 55 63 GLN N N 116.344 0.400 1 575 55 63 GLN NE2 N 110.387 0.400 1 576 56 64 TYR H H 8.603 0.020 1 577 56 64 TYR HA H 4.698 0.020 1 578 56 64 TYR HB2 H 3.111 0.020 2 579 56 64 TYR HB3 H 2.122 0.020 2 580 56 64 TYR HD1 H 6.509 0.020 1 581 56 64 TYR HD2 H 6.509 0.020 1 582 56 64 TYR HE1 H 6.881 0.020 1 583 56 64 TYR HE2 H 6.881 0.020 1 584 56 64 TYR C C 174.068 0.400 1 585 56 64 TYR CA C 56.017 0.400 1 586 56 64 TYR CB C 42.984 0.400 1 587 56 64 TYR CD1 C 134.065 0.400 1 588 56 64 TYR N N 116.249 0.400 1 589 57 65 PHE H H 9.041 0.020 1 590 57 65 PHE HA H 5.487 0.020 1 591 57 65 PHE HB2 H 3.035 0.020 2 592 57 65 PHE HB3 H 2.878 0.020 2 593 57 65 PHE HD1 H 7.084 0.020 1 594 57 65 PHE HD2 H 7.084 0.020 1 595 57 65 PHE HE1 H 6.868 0.020 1 596 57 65 PHE HE2 H 6.868 0.020 1 597 57 65 PHE HZ H 7.130 0.020 1 598 57 65 PHE C C 176.014 0.400 1 599 57 65 PHE CA C 57.384 0.400 1 600 57 65 PHE CB C 40.397 0.400 1 601 57 65 PHE CD1 C 132.115 0.400 1 602 57 65 PHE N N 125.293 0.400 1 603 58 66 LEU H H 9.278 0.020 1 604 58 66 LEU HA H 4.209 0.020 1 605 58 66 LEU HB2 H 1.296 0.020 2 606 58 66 LEU HB3 H 0.823 0.020 2 607 58 66 LEU HD1 H -0.006 0.020 2 608 58 66 LEU HD2 H -0.494 0.020 2 609 58 66 LEU HG H 0.686 0.020 1 610 58 66 LEU C C 173.609 0.400 1 611 58 66 LEU CA C 56.164 0.400 1 612 58 66 LEU CB C 46.370 0.400 1 613 58 66 LEU CD1 C 23.694 0.400 1 614 58 66 LEU CD2 C 26.031 0.400 1 615 58 66 LEU CG C 30.620 0.400 1 616 58 66 LEU N N 132.275 0.400 1 617 59 67 ARG H H 7.227 0.020 1 618 59 67 ARG HA H 4.768 0.020 1 619 59 67 ARG HB2 H 1.804 0.020 2 620 59 67 ARG HB3 H 1.804 0.020 2 621 59 67 ARG HD2 H 3.172 0.020 2 622 59 67 ARG HD3 H 3.172 0.020 2 623 59 67 ARG HG2 H 1.196 0.020 2 624 59 67 ARG HG3 H 1.431 0.020 2 625 59 67 ARG C C 175.025 0.400 1 626 59 67 ARG CA C 53.645 0.400 1 627 59 67 ARG CB C 33.122 0.400 1 628 59 67 ARG CD C 43.956 0.400 1 629 59 67 ARG CG C 26.950 0.400 1 630 59 67 ARG N N 115.867 0.400 1 631 60 68 ARG H H 8.271 0.020 1 632 60 68 ARG HA H 3.830 0.020 1 633 60 68 ARG HB2 H 1.711 0.020 2 634 60 68 ARG HB3 H 1.711 0.020 2 635 60 68 ARG HD2 H 3.127 0.020 2 636 60 68 ARG HD3 H 3.127 0.020 2 637 60 68 ARG C C 176.223 0.400 1 638 60 68 ARG CA C 58.280 0.400 1 639 60 68 ARG CB C 30.905 0.400 1 640 60 68 ARG N N 118.639 0.400 1 641 61 69 GLY H H 8.559 0.020 1 642 61 69 GLY HA2 H 4.240 0.020 2 643 61 69 GLY HA3 H 3.689 0.020 2 644 61 69 GLY C C 170.709 0.400 1 645 61 69 GLY CA C 44.177 0.400 1 646 61 69 GLY N N 113.778 0.400 1 647 62 70 ASP H H 8.214 0.020 1 648 62 70 ASP HA H 5.131 0.020 1 649 62 70 ASP HB2 H 2.500 0.020 2 650 62 70 ASP HB3 H 2.500 0.020 2 651 62 70 ASP C C 175.757 0.400 1 652 62 70 ASP CA C 53.860 0.400 1 653 62 70 ASP CB C 42.415 0.400 1 654 62 70 ASP N N 119.182 0.400 1 655 63 71 TYR H H 9.306 0.020 1 656 63 71 TYR HA H 4.799 0.020 1 657 63 71 TYR HB2 H 3.611 0.020 2 658 63 71 TYR HB3 H 3.037 0.020 2 659 63 71 TYR HD1 H 7.010 0.020 1 660 63 71 TYR HD2 H 7.010 0.020 1 661 63 71 TYR HE1 H 7.007 0.020 1 662 63 71 TYR HE2 H 7.007 0.020 1 663 63 71 TYR C C 174.542 0.400 1 664 63 71 TYR CA C 56.164 0.400 1 665 63 71 TYR CB C 39.414 0.400 1 666 63 71 TYR CE1 C 118.291 0.400 1 667 63 71 TYR N N 121.474 0.400 1 668 64 72 ALA H H 8.505 0.020 1 669 64 72 ALA HA H 3.241 0.020 1 670 64 72 ALA HB H 1.207 0.020 1 671 64 72 ALA C C 174.835 0.400 1 672 64 72 ALA CA C 54.568 0.400 1 673 64 72 ALA CB C 19.180 0.400 1 674 64 72 ALA N N 125.930 0.400 1 675 65 73 ASP H H 7.216 0.020 1 676 65 73 ASP HA H 5.307 0.020 1 677 65 73 ASP HB2 H 2.416 0.020 2 678 65 73 ASP HB3 H 2.352 0.020 2 679 65 73 ASP C C 176.844 0.400 1 680 65 73 ASP CA C 52.661 0.400 1 681 65 73 ASP CB C 44.269 0.400 1 682 65 73 ASP N N 113.509 0.400 1 683 66 74 HIS H H 7.856 0.020 1 684 66 74 HIS HA H 1.234 0.020 1 685 66 74 HIS HB2 H 2.403 0.020 2 686 66 74 HIS HB3 H 2.210 0.020 2 687 66 74 HIS HD2 H 6.601 0.020 1 688 66 74 HIS HE1 H 7.662 0.020 1 689 66 74 HIS C C 176.847 0.400 1 690 66 74 HIS CA C 56.436 0.400 1 691 66 74 HIS CB C 28.301 0.400 1 692 66 74 HIS N N 118.767 0.400 1 693 67 75 GLN H H 8.284 0.020 1 694 67 75 GLN HA H 3.723 0.020 1 695 67 75 GLN HB3 H 1.743 0.020 2 696 67 75 GLN HE21 H 6.516 0.020 2 697 67 75 GLN HE22 H 7.232 0.020 2 698 67 75 GLN HG2 H 1.910 0.020 2 699 67 75 GLN HG3 H 2.143 0.020 2 700 67 75 GLN C C 179.872 0.400 1 701 67 75 GLN CA C 59.116 0.400 1 702 67 75 GLN CB C 27.003 0.400 1 703 67 75 GLN CG C 34.497 0.400 1 704 67 75 GLN N N 121.897 0.400 1 705 67 75 GLN NE2 N 111.023 0.400 1 706 68 76 GLN H H 7.819 0.020 1 707 68 76 GLN HA H 4.167 0.020 1 708 68 76 GLN HB2 H 2.491 0.020 2 709 68 76 GLN HB3 H 2.338 0.020 2 710 68 76 GLN HE21 H 6.833 0.020 2 711 68 76 GLN HG2 H 2.544 0.020 2 712 68 76 GLN HG3 H 2.544 0.020 2 713 68 76 GLN C C 177.295 0.400 1 714 68 76 GLN CA C 58.236 0.400 1 715 68 76 GLN CB C 28.565 0.400 1 716 68 76 GLN CG C 34.621 0.400 1 717 68 76 GLN N N 118.974 0.400 1 718 68 76 GLN NE2 N 113.140 0.400 1 719 69 77 TRP H H 6.961 0.020 1 720 69 77 TRP HA H 5.241 0.020 1 721 69 77 TRP HB2 H 2.488 0.020 2 722 69 77 TRP HB3 H 3.321 0.020 2 723 69 77 TRP HD1 H 6.189 0.020 1 724 69 77 TRP HE1 H 9.799 0.020 1 725 69 77 TRP HE3 H 6.997 0.020 1 726 69 77 TRP HH2 H 6.537 0.020 1 727 69 77 TRP HZ2 H 6.983 0.020 1 728 69 77 TRP HZ3 H 6.966 0.020 1 729 69 77 TRP C C 175.249 0.400 1 730 69 77 TRP CA C 56.978 0.400 1 731 69 77 TRP CB C 27.065 0.400 1 732 69 77 TRP CD1 C 128.375 0.400 1 733 69 77 TRP CH2 C 123.017 0.400 1 734 69 77 TRP CZ2 C 114.006 0.400 1 735 69 77 TRP N N 115.735 0.400 1 736 69 77 TRP NE1 N 130.291 0.400 1 737 70 78 MET H H 7.647 0.020 1 738 70 78 MET HA H 3.952 0.020 1 739 70 78 MET HB2 H 2.729 0.020 2 740 70 78 MET HB3 H 2.349 0.020 2 741 70 78 MET HE H 2.282 0.020 1 742 70 78 MET HG2 H 2.832 0.020 2 743 70 78 MET HG3 H 2.482 0.020 2 744 70 78 MET C C 175.177 0.400 1 745 70 78 MET CA C 56.392 0.400 1 746 70 78 MET CB C 28.786 0.400 1 747 70 78 MET CE C 17.422 0.400 1 748 70 78 MET CG C 32.761 0.400 1 749 70 78 MET N N 113.354 0.400 1 750 71 79 GLY H H 7.490 0.020 1 751 71 79 GLY HA2 H 3.352 0.020 2 752 71 79 GLY HA3 H 2.711 0.020 2 753 71 79 GLY C C 175.310 0.400 1 754 71 79 GLY CA C 45.855 0.400 1 755 71 79 GLY N N 106.102 0.400 1 756 72 80 LEU H H 7.849 0.020 1 757 72 80 LEU HA H 4.389 0.020 1 758 72 80 LEU HB2 H 1.675 0.020 2 759 72 80 LEU HB3 H 1.675 0.020 2 760 72 80 LEU HD1 H 0.997 0.020 2 761 72 80 LEU HD2 H 0.871 0.020 2 762 72 80 LEU HG H 1.859 0.020 1 763 72 80 LEU C C 176.375 0.400 1 764 72 80 LEU CA C 55.338 0.400 1 765 72 80 LEU CB C 42.006 0.400 1 766 72 80 LEU CD1 C 25.240 0.400 1 767 72 80 LEU CD2 C 22.991 0.400 1 768 72 80 LEU CG C 27.513 0.400 1 769 72 80 LEU N N 124.338 0.400 1 770 73 81 SER H H 7.442 0.020 1 771 73 81 SER HA H 4.246 0.020 1 772 73 81 SER HB2 H 3.973 0.020 2 773 73 81 SER HB3 H 3.831 0.020 2 774 73 81 SER C C 170.867 0.400 1 775 73 81 SER CA C 55.772 0.400 1 776 73 81 SER CB C 65.783 0.400 1 777 73 81 SER N N 111.807 0.400 1 778 74 82 ASP H H 7.884 0.020 1 779 74 82 ASP HA H 4.420 0.020 1 780 74 82 ASP HB2 H 2.887 0.020 2 781 74 82 ASP HB3 H 2.462 0.020 2 782 74 82 ASP C C 175.654 0.400 1 783 74 82 ASP CA C 52.084 0.400 1 784 74 82 ASP CB C 39.314 0.400 1 785 74 82 ASP N N 116.734 0.400 1 786 75 83 SER H H 7.487 0.020 1 787 75 83 SER HA H 4.612 0.020 1 788 75 83 SER HB2 H 3.881 0.020 2 789 75 83 SER HB3 H 3.644 0.020 2 790 75 83 SER C C 174.294 0.400 1 791 75 83 SER CA C 57.998 0.400 1 792 75 83 SER CB C 63.576 0.400 1 793 75 83 SER N N 112.712 0.400 1 794 76 84 VAL H H 7.777 0.020 1 795 76 84 VAL HA H 4.333 0.020 1 796 76 84 VAL HB H 1.707 0.020 1 797 76 84 VAL HG1 H 0.813 0.020 2 798 76 84 VAL HG2 H 0.719 0.020 2 799 76 84 VAL C C 174.878 0.400 1 800 76 84 VAL CA C 62.735 0.400 1 801 76 84 VAL CB C 34.898 0.400 1 802 76 84 VAL CG1 C 22.139 0.400 1 803 76 84 VAL CG2 C 21.791 0.400 1 804 76 84 VAL N N 128.523 0.400 1 805 77 85 ARG H H 8.718 0.020 1 806 77 85 ARG HA H 4.500 0.020 1 807 77 85 ARG HB2 H 1.763 0.020 2 808 77 85 ARG HB3 H 0.926 0.020 2 809 77 85 ARG HD2 H 3.250 0.020 2 810 77 85 ARG HD3 H 3.027 0.020 2 811 77 85 ARG HE H 7.076 0.020 1 812 77 85 ARG HG2 H 1.556 0.020 2 813 77 85 ARG HG3 H 1.556 0.020 2 814 77 85 ARG C C 175.524 0.400 1 815 77 85 ARG CA C 55.845 0.400 1 816 77 85 ARG CB C 33.715 0.400 1 817 77 85 ARG CD C 43.805 0.400 1 818 77 85 ARG CG C 28.946 0.400 1 819 77 85 ARG N N 121.938 0.400 1 820 77 85 ARG NE N 85.968 0.400 1 821 78 86 SER H H 8.229 0.020 1 822 78 86 SER HA H 4.379 0.020 1 823 78 86 SER HB2 H 4.293 0.020 2 824 78 86 SER HB3 H 4.293 0.020 2 825 78 86 SER C C 173.064 0.400 1 826 78 86 SER CA C 59.926 0.400 1 827 78 86 SER CB C 65.000 0.400 1 828 78 86 SER N N 111.446 0.400 1 829 79 87 CYS H H 9.407 0.020 1 830 79 87 CYS HA H 6.156 0.020 1 831 79 87 CYS HB2 H 3.001 0.020 2 832 79 87 CYS HB3 H 3.096 0.020 2 833 79 87 CYS C C 171.310 0.400 1 834 79 87 CYS CA C 56.243 0.400 1 835 79 87 CYS CB C 31.313 0.400 1 836 79 87 CYS N N 112.221 0.400 1 837 80 88 ARG H H 9.631 0.020 1 838 80 88 ARG HA H 4.872 0.020 1 839 80 88 ARG HB2 H 1.500 0.020 2 840 80 88 ARG HB3 H 1.500 0.020 2 841 80 88 ARG HD2 H 2.441 0.020 2 842 80 88 ARG HD3 H 2.717 0.020 2 843 80 88 ARG HE H 6.422 0.020 1 844 80 88 ARG HG2 H 1.268 0.020 2 845 80 88 ARG HG3 H 1.066 0.020 2 846 80 88 ARG C C 173.333 0.400 1 847 80 88 ARG CA C 54.375 0.400 1 848 80 88 ARG CB C 35.225 0.400 1 849 80 88 ARG CD C 43.686 0.400 1 850 80 88 ARG CG C 27.005 0.400 1 851 80 88 ARG N N 120.704 0.400 1 852 80 88 ARG NE N 82.303 0.400 1 853 81 89 LEU H H 8.724 0.020 1 854 81 89 LEU HA H 3.196 0.020 1 855 81 89 LEU HB2 H 1.121 0.020 2 856 81 89 LEU HB3 H -0.244 0.020 2 857 81 89 LEU HD1 H 0.256 0.020 2 858 81 89 LEU HD2 H -0.210 0.020 2 859 81 89 LEU HG H 0.535 0.020 1 860 81 89 LEU C C 175.709 0.400 1 861 81 89 LEU CA C 53.396 0.400 1 862 81 89 LEU CB C 40.462 0.400 1 863 81 89 LEU CD1 C 26.029 0.400 1 864 81 89 LEU CD2 C 22.084 0.400 1 865 81 89 LEU CG C 26.402 0.400 1 866 81 89 LEU N N 127.456 0.400 1 867 82 90 ILE H H 8.594 0.020 1 868 82 90 ILE HA H 3.774 0.020 1 869 82 90 ILE HB H 1.254 0.020 1 870 82 90 ILE HD1 H 0.726 0.020 1 871 82 90 ILE HG12 H 1.426 0.020 2 872 82 90 ILE HG13 H 0.673 0.020 2 873 82 90 ILE HG2 H 0.828 0.020 1 874 82 90 ILE CA C 59.789 0.400 1 875 82 90 ILE CB C 38.858 0.400 1 876 82 90 ILE CD1 C 15.525 0.400 1 877 82 90 ILE CG2 C 18.883 0.400 1 878 82 90 ILE N N 132.381 0.400 1 879 83 91 PRO HA H 4.091 0.020 1 880 83 91 PRO HB2 H 2.085 0.020 2 881 83 91 PRO HB3 H 1.652 0.020 2 882 83 91 PRO HD2 H 3.382 0.020 2 883 83 91 PRO HD3 H 3.854 0.020 2 884 83 91 PRO HG2 H 1.722 0.020 2 885 83 91 PRO HG3 H 1.895 0.020 2 886 83 91 PRO C C 176.786 0.400 1 887 83 91 PRO CA C 63.059 0.400 1 888 83 91 PRO CB C 31.923 0.400 1 889 83 91 PRO CD C 51.127 0.400 1 890 83 91 PRO CG C 27.513 0.400 1 891 84 92 HIS H H 8.373 0.020 1 892 84 92 HIS HA H 4.249 0.020 1 893 84 92 HIS HB2 H 2.965 0.020 2 894 84 92 HIS HB3 H 2.688 0.020 2 895 84 92 HIS C C 174.987 0.400 1 896 84 92 HIS CA C 57.010 0.400 1 897 84 92 HIS CB C 30.471 0.400 1 898 84 92 HIS N N 122.746 0.400 1 899 85 93 SER H H 7.589 0.020 1 900 85 93 SER HA H 4.272 0.020 1 901 85 93 SER HB2 H 3.420 0.020 2 902 85 93 SER HB3 H 3.186 0.020 2 903 85 93 SER C C 173.141 0.400 1 904 85 93 SER CA C 57.070 0.400 1 905 85 93 SER CB C 65.251 0.400 1 906 85 93 SER N N 119.157 0.400 1 907 86 94 GLY H H 8.648 0.020 1 908 86 94 GLY HA2 H 4.000 0.020 2 909 86 94 GLY HA3 H 3.630 0.020 2 910 86 94 GLY C C 173.068 0.400 1 911 86 94 GLY CA C 45.194 0.400 1 912 86 94 GLY N N 111.706 0.400 1 913 87 95 SER H H 7.252 0.020 1 914 87 95 SER HA H 4.439 0.020 1 915 87 95 SER HB2 H 3.642 0.020 2 916 87 95 SER HB3 H 3.621 0.020 2 917 87 95 SER C C 171.848 0.400 1 918 87 95 SER CA C 57.752 0.400 1 919 87 95 SER CB C 64.501 0.400 1 920 87 95 SER N N 112.604 0.400 1 921 88 96 HIS H H 7.930 0.020 1 922 88 96 HIS HA H 4.713 0.020 1 923 88 96 HIS HB2 H 1.984 0.020 2 924 88 96 HIS HB3 H 2.573 0.020 2 925 88 96 HIS HD2 H 5.758 0.020 1 926 88 96 HIS HE1 H 7.175 0.020 1 927 88 96 HIS C C 174.925 0.400 1 928 88 96 HIS CA C 56.416 0.400 1 929 88 96 HIS CB C 34.745 0.400 1 930 88 96 HIS CE1 C 138.286 0.400 1 931 88 96 HIS N N 117.599 0.400 1 932 89 97 ARG H H 9.528 0.020 1 933 89 97 ARG HA H 5.140 0.020 1 934 89 97 ARG HB2 H 1.952 0.020 2 935 89 97 ARG HB3 H 1.461 0.020 2 936 89 97 ARG C C 173.367 0.400 1 937 89 97 ARG CA C 57.532 0.400 1 938 89 97 ARG CB C 33.282 0.400 1 939 89 97 ARG N N 123.848 0.400 1 940 90 98 ILE H H 9.004 0.020 1 941 90 98 ILE HA H 4.838 0.020 1 942 90 98 ILE HB H 0.288 0.020 1 943 90 98 ILE HD1 H -0.322 0.020 1 944 90 98 ILE HG12 H 1.045 0.020 2 945 90 98 ILE HG13 H 0.305 0.020 2 946 90 98 ILE HG2 H -0.465 0.020 1 947 90 98 ILE C C 170.580 0.400 1 948 90 98 ILE CA C 59.197 0.400 1 949 90 98 ILE CB C 42.120 0.400 1 950 90 98 ILE CD1 C 14.597 0.400 1 951 90 98 ILE CG1 C 28.055 0.400 1 952 90 98 ILE CG2 C 15.620 0.400 1 953 90 98 ILE N N 129.395 0.400 1 954 91 99 ARG H H 8.501 0.020 1 955 91 99 ARG HA H 4.819 0.020 1 956 91 99 ARG HB2 H 1.363 0.020 2 957 91 99 ARG HB3 H 1.218 0.020 2 958 91 99 ARG C C 173.496 0.400 1 959 91 99 ARG CA C 54.608 0.400 1 960 91 99 ARG N N 125.172 0.400 1 961 92 100 LEU H H 8.752 0.020 1 962 92 100 LEU HA H 4.467 0.020 1 963 92 100 LEU HB2 H 1.248 0.020 2 964 92 100 LEU HB3 H 1.248 0.020 2 965 92 100 LEU HD1 H 0.365 0.020 2 966 92 100 LEU HD2 H 0.486 0.020 2 967 92 100 LEU HG H 1.246 0.020 1 968 92 100 LEU C C 174.714 0.400 1 969 92 100 LEU CA C 53.693 0.400 1 970 92 100 LEU CB C 43.301 0.400 1 971 92 100 LEU CD1 C 24.741 0.400 1 972 92 100 LEU CD2 C 26.953 0.400 1 973 92 100 LEU CG C 27.461 0.400 1 974 92 100 LEU N N 122.194 0.400 1 975 93 101 TYR H H 8.329 0.020 1 976 93 101 TYR HA H 5.331 0.020 1 977 93 101 TYR HB2 H 3.156 0.020 2 978 93 101 TYR HB3 H 3.156 0.020 2 979 93 101 TYR HD1 H 6.525 0.020 1 980 93 101 TYR HD2 H 6.525 0.020 1 981 93 101 TYR C C 176.153 0.400 1 982 93 101 TYR CA C 57.219 0.400 1 983 93 101 TYR CB C 40.748 0.400 1 984 93 101 TYR N N 115.253 0.400 1 985 94 102 GLU H H 8.775 0.020 1 986 94 102 GLU HA H 3.777 0.020 1 987 94 102 GLU HB2 H 1.890 0.020 2 988 94 102 GLU HG2 H 1.581 0.020 2 989 94 102 GLU HG3 H 1.348 0.020 2 990 94 102 GLU C C 176.637 0.400 1 991 94 102 GLU CA C 58.100 0.400 1 992 94 102 GLU CB C 33.024 0.400 1 993 94 102 GLU CG C 33.913 0.400 1 994 94 102 GLU N N 120.287 0.400 1 995 95 103 ARG H H 7.831 0.020 1 996 95 103 ARG HA H 4.609 0.020 1 997 95 103 ARG HB2 H 1.812 0.020 2 998 95 103 ARG HB3 H 1.303 0.020 2 999 95 103 ARG HD2 H 2.965 0.020 2 1000 95 103 ARG HD3 H 2.921 0.020 2 1001 95 103 ARG C C 174.954 0.400 1 1002 95 103 ARG CA C 54.107 0.400 1 1003 95 103 ARG CB C 33.343 0.400 1 1004 95 103 ARG CG C 27.368 0.400 1 1005 95 103 ARG N N 112.344 0.400 1 1006 96 104 GLU H H 8.668 0.020 1 1007 96 104 GLU HA H 3.984 0.020 1 1008 96 104 GLU HB2 H 1.994 0.020 2 1009 96 104 GLU HB3 H 1.994 0.020 2 1010 96 104 GLU HG2 H 2.452 0.020 2 1011 96 104 GLU HG3 H 2.452 0.020 2 1012 96 104 GLU C C 175.938 0.400 1 1013 96 104 GLU CA C 57.034 0.400 1 1014 96 104 GLU CB C 29.785 0.400 1 1015 96 104 GLU CG C 37.084 0.400 1 1016 96 104 GLU N N 119.732 0.400 1 1017 97 105 ASP H H 8.836 0.020 1 1018 97 105 ASP HA H 3.401 0.020 1 1019 97 105 ASP HB2 H 2.660 0.020 2 1020 97 105 ASP HB3 H 2.248 0.020 2 1021 97 105 ASP C C 173.440 0.400 1 1022 97 105 ASP CA C 55.907 0.400 1 1023 97 105 ASP CB C 39.331 0.400 1 1024 97 105 ASP N N 114.842 0.400 1 1025 98 106 TYR H H 8.202 0.020 1 1026 98 106 TYR HA H 2.652 0.020 1 1027 98 106 TYR HB2 H 1.980 0.020 2 1028 98 106 TYR HB3 H 2.841 0.020 2 1029 98 106 TYR HD1 H 6.547 0.020 1 1030 98 106 TYR HD2 H 6.547 0.020 1 1031 98 106 TYR C C 175.583 0.400 1 1032 98 106 TYR CA C 54.235 0.400 1 1033 98 106 TYR CB C 33.053 0.400 1 1034 98 106 TYR N N 110.289 0.400 1 1035 99 107 ARG H H 6.357 0.020 1 1036 99 107 ARG HA H 4.551 0.020 1 1037 99 107 ARG HB2 H 1.562 0.020 2 1038 99 107 ARG HB3 H 1.687 0.020 2 1039 99 107 ARG HD2 H 3.023 0.020 2 1040 99 107 ARG HD3 H 3.023 0.020 2 1041 99 107 ARG C C 175.167 0.400 1 1042 99 107 ARG CA C 54.362 0.400 1 1043 99 107 ARG CB C 32.650 0.400 1 1044 99 107 ARG N N 117.688 0.400 1 1045 100 108 GLY H H 8.304 0.020 1 1046 100 108 GLY HA2 H 3.973 0.020 2 1047 100 108 GLY HA3 H 3.672 0.020 2 1048 100 108 GLY C C 173.995 0.400 1 1049 100 108 GLY CA C 43.999 0.400 1 1050 100 108 GLY N N 104.966 0.400 1 1051 101 109 GLN H H 9.030 0.020 1 1052 101 109 GLN HA H 4.092 0.020 1 1053 101 109 GLN HB2 H 1.833 0.020 2 1054 101 109 GLN HB3 H 2.232 0.020 2 1055 101 109 GLN HG2 H 2.470 0.020 2 1056 101 109 GLN HG3 H 2.591 0.020 2 1057 101 109 GLN C C 173.834 0.400 1 1058 101 109 GLN CA C 57.602 0.400 1 1059 101 109 GLN CB C 29.643 0.400 1 1060 101 109 GLN CG C 34.607 0.400 1 1061 101 109 GLN N N 120.273 0.400 1 1062 102 110 MET H H 8.136 0.020 1 1063 102 110 MET HA H 5.285 0.020 1 1064 102 110 MET HB2 H 1.580 0.020 2 1065 102 110 MET HB3 H 1.534 0.020 2 1066 102 110 MET HE H 1.741 0.020 1 1067 102 110 MET HG2 H 1.743 0.020 2 1068 102 110 MET HG3 H 1.743 0.020 2 1069 102 110 MET C C 175.191 0.400 1 1070 102 110 MET CA C 53.284 0.400 1 1071 102 110 MET CB C 36.006 0.400 1 1072 102 110 MET CE C 16.938 0.400 1 1073 102 110 MET N N 120.731 0.400 1 1074 103 111 ILE H H 8.178 0.020 1 1075 103 111 ILE HA H 4.085 0.020 1 1076 103 111 ILE HB H 1.121 0.020 1 1077 103 111 ILE HD1 H 0.558 0.020 1 1078 103 111 ILE HG12 H 1.085 0.020 2 1079 103 111 ILE HG13 H 0.156 0.020 2 1080 103 111 ILE HG2 H -0.208 0.020 1 1081 103 111 ILE C C 170.649 0.400 1 1082 103 111 ILE CA C 60.535 0.400 1 1083 103 111 ILE CB C 41.414 0.400 1 1084 103 111 ILE CD1 C 15.698 0.400 1 1085 103 111 ILE CG1 C 28.194 0.400 1 1086 103 111 ILE CG2 C 15.468 0.400 1 1087 103 111 ILE N N 124.368 0.400 1 1088 104 112 GLU H H 7.832 0.020 1 1089 104 112 GLU HA H 5.186 0.020 1 1090 104 112 GLU HB2 H 1.655 0.020 2 1091 104 112 GLU HB3 H 1.655 0.020 2 1092 104 112 GLU HG2 H 1.945 0.020 2 1093 104 112 GLU HG3 H 1.738 0.020 2 1094 104 112 GLU C C 175.109 0.400 1 1095 104 112 GLU CA C 53.437 0.400 1 1096 104 112 GLU CB C 33.348 0.400 1 1097 104 112 GLU CG C 37.582 0.400 1 1098 104 112 GLU N N 127.939 0.400 1 1099 105 113 PHE H H 8.739 0.020 1 1100 105 113 PHE HA H 4.982 0.020 1 1101 105 113 PHE HB2 H 2.367 0.020 2 1102 105 113 PHE HB3 H 3.491 0.020 2 1103 105 113 PHE HD1 H 6.886 0.020 1 1104 105 113 PHE HD2 H 6.886 0.020 1 1105 105 113 PHE HE1 H 6.938 0.020 1 1106 105 113 PHE HE2 H 6.938 0.020 1 1107 105 113 PHE C C 176.004 0.400 1 1108 105 113 PHE CA C 57.306 0.400 1 1109 105 113 PHE CB C 43.572 0.400 1 1110 105 113 PHE CD1 C 131.000 0.400 1 1111 105 113 PHE CE1 C 131.180 0.400 1 1112 105 113 PHE N N 121.496 0.400 1 1113 106 114 THR H H 8.875 0.020 1 1114 106 114 THR HA H 4.907 0.020 1 1115 106 114 THR HB H 4.691 0.020 1 1116 106 114 THR HG2 H 1.266 0.020 1 1117 106 114 THR C C 172.871 0.400 1 1118 106 114 THR CA C 61.100 0.400 1 1119 106 114 THR CB C 70.156 0.400 1 1120 106 114 THR CG2 C 21.197 0.400 1 1121 106 114 THR N N 108.971 0.400 1 1122 107 115 GLU H H 7.644 0.020 1 1123 107 115 GLU HA H 4.302 0.020 1 1124 107 115 GLU HB2 H 2.193 0.020 2 1125 107 115 GLU HB3 H 1.956 0.020 2 1126 107 115 GLU HG2 H 2.325 0.020 2 1127 107 115 GLU C C 172.795 0.400 1 1128 107 115 GLU CA C 54.265 0.400 1 1129 107 115 GLU CB C 33.448 0.400 1 1130 107 115 GLU CG C 35.863 0.400 1 1131 107 115 GLU N N 120.441 0.400 1 1132 108 116 ASP H H 7.742 0.020 1 1133 108 116 ASP HA H 4.483 0.020 1 1134 108 116 ASP HB2 H 3.190 0.020 2 1135 108 116 ASP HB3 H 2.432 0.020 2 1136 108 116 ASP C C 176.084 0.400 1 1137 108 116 ASP CA C 55.203 0.400 1 1138 108 116 ASP CB C 40.854 0.400 1 1139 108 116 ASP N N 115.285 0.400 1 1140 109 117 CYS H H 8.961 0.020 1 1141 109 117 CYS HA H 4.600 0.020 1 1142 109 117 CYS HB2 H 2.127 0.020 2 1143 109 117 CYS HB3 H 1.933 0.020 2 1144 109 117 CYS C C 173.643 0.400 1 1145 109 117 CYS CA C 58.211 0.400 1 1146 109 117 CYS CB C 28.731 0.400 1 1147 109 117 CYS N N 120.617 0.400 1 1148 110 118 SER H H 8.911 0.020 1 1149 110 118 SER HA H 3.555 0.020 1 1150 110 118 SER HB2 H 3.729 0.020 2 1151 110 118 SER HB3 H 3.670 0.020 2 1152 110 118 SER C C 173.828 0.400 1 1153 110 118 SER CA C 60.238 0.400 1 1154 110 118 SER CB C 63.064 0.400 1 1155 110 118 SER N N 124.279 0.400 1 1156 111 119 CYS H H 7.654 0.020 1 1157 111 119 CYS HA H 4.586 0.020 1 1158 111 119 CYS HB2 H 2.870 0.020 2 1159 111 119 CYS HB3 H 2.663 0.020 2 1160 111 119 CYS C C 174.525 0.400 1 1161 111 119 CYS CA C 58.114 0.400 1 1162 111 119 CYS CB C 26.482 0.400 1 1163 111 119 CYS N N 122.315 0.400 1 1164 112 120 LEU H H 8.537 0.020 1 1165 112 120 LEU HA H 4.054 0.020 1 1166 112 120 LEU HB2 H 1.637 0.020 2 1167 112 120 LEU HB3 H 0.804 0.020 2 1168 112 120 LEU HD1 H 0.779 0.020 2 1169 112 120 LEU HD2 H 0.642 0.020 2 1170 112 120 LEU HG H 1.645 0.020 1 1171 112 120 LEU C C 177.763 0.400 1 1172 112 120 LEU CA C 58.130 0.400 1 1173 112 120 LEU CB C 41.467 0.400 1 1174 112 120 LEU CD1 C 24.892 0.400 1 1175 112 120 LEU CD2 C 25.683 0.400 1 1176 112 120 LEU CG C 27.117 0.400 1 1177 112 120 LEU N N 132.235 0.400 1 1178 113 121 GLN H H 7.943 0.020 1 1179 113 121 GLN HA H 4.534 0.020 1 1180 113 121 GLN HB2 H 1.966 0.020 2 1181 113 121 GLN HB3 H 1.966 0.020 2 1182 113 121 GLN HE21 H 7.506 0.020 2 1183 113 121 GLN HE22 H 8.117 0.020 2 1184 113 121 GLN HG2 H 2.491 0.020 2 1185 113 121 GLN HG3 H 2.296 0.020 2 1186 113 121 GLN C C 176.501 0.400 1 1187 113 121 GLN CA C 59.176 0.400 1 1188 113 121 GLN CB C 27.435 0.400 1 1189 113 121 GLN CG C 35.854 0.400 1 1190 113 121 GLN N N 117.616 0.400 1 1191 113 121 GLN NE2 N 114.190 0.400 1 1192 114 122 ASP H H 7.236 0.020 1 1193 114 122 ASP HA H 4.428 0.020 1 1194 114 122 ASP HB2 H 2.639 0.020 2 1195 114 122 ASP HB3 H 2.639 0.020 2 1196 114 122 ASP C C 176.977 0.400 1 1197 114 122 ASP CA C 56.270 0.400 1 1198 114 122 ASP CB C 40.710 0.400 1 1199 114 122 ASP N N 117.975 0.400 1 1200 115 123 ARG H H 7.615 0.020 1 1201 115 123 ARG HA H 4.467 0.020 1 1202 115 123 ARG HB2 H 1.785 0.020 2 1203 115 123 ARG HB3 H 1.942 0.020 2 1204 115 123 ARG HD2 H 3.214 0.020 2 1205 115 123 ARG HD3 H 3.193 0.020 2 1206 115 123 ARG HG2 H 1.543 0.020 2 1207 115 123 ARG HG3 H 1.785 0.020 2 1208 115 123 ARG C C 175.159 0.400 1 1209 115 123 ARG CA C 55.000 0.400 1 1210 115 123 ARG CB C 32.425 0.400 1 1211 115 123 ARG CG C 26.585 0.400 1 1212 115 123 ARG N N 115.266 0.400 1 1213 116 124 PHE H H 8.383 0.020 1 1214 116 124 PHE HA H 4.864 0.020 1 1215 116 124 PHE HB2 H 2.993 0.020 2 1216 116 124 PHE HB3 H 2.730 0.020 2 1217 116 124 PHE HD1 H 7.185 0.020 1 1218 116 124 PHE HD2 H 7.185 0.020 1 1219 116 124 PHE HE1 H 7.198 0.020 1 1220 116 124 PHE HE2 H 7.198 0.020 1 1221 116 124 PHE C C 175.059 0.400 1 1222 116 124 PHE CA C 55.984 0.400 1 1223 116 124 PHE CB C 42.545 0.400 1 1224 116 124 PHE N N 122.437 0.400 1 1225 117 125 ARG H H 8.138 0.020 1 1226 117 125 ARG HA H 3.966 0.020 1 1227 117 125 ARG HB2 H 1.268 0.020 2 1228 117 125 ARG HB3 H 1.359 0.020 2 1229 117 125 ARG HD2 H 2.888 0.020 2 1230 117 125 ARG HD3 H 2.888 0.020 2 1231 117 125 ARG HG2 H 1.176 0.020 2 1232 117 125 ARG HG3 H 1.061 0.020 2 1233 117 125 ARG C C 174.774 0.400 1 1234 117 125 ARG CA C 57.039 0.400 1 1235 117 125 ARG CB C 27.904 0.400 1 1236 117 125 ARG CG C 26.652 0.400 1 1237 117 125 ARG N N 123.139 0.400 1 1238 118 126 PHE H H 7.450 0.020 1 1239 118 126 PHE HA H 4.431 0.020 1 1240 118 126 PHE HB2 H 3.258 0.020 2 1241 118 126 PHE HB3 H 2.377 0.020 2 1242 118 126 PHE HD1 H 6.273 0.020 1 1243 118 126 PHE HD2 H 6.273 0.020 1 1244 118 126 PHE HE1 H 6.830 0.020 1 1245 118 126 PHE HE2 H 6.830 0.020 1 1246 118 126 PHE HZ H 6.942 0.020 1 1247 118 126 PHE C C 174.949 0.400 1 1248 118 126 PHE CA C 57.386 0.400 1 1249 118 126 PHE CB C 41.768 0.400 1 1250 118 126 PHE CD1 C 131.936 0.400 1 1251 118 126 PHE CE1 C 130.697 0.400 1 1252 118 126 PHE N N 118.474 0.400 1 1253 119 127 ASN H H 8.758 0.020 1 1254 119 127 ASN HA H 4.706 0.020 1 1255 119 127 ASN HB2 H 2.771 0.020 2 1256 119 127 ASN HB3 H 2.771 0.020 2 1257 119 127 ASN HD21 H 7.552 0.020 2 1258 119 127 ASN C C 174.302 0.400 1 1259 119 127 ASN CA C 53.978 0.400 1 1260 119 127 ASN CB C 39.416 0.400 1 1261 119 127 ASN N N 118.419 0.400 1 1262 119 127 ASN ND2 N 112.204 0.400 1 1263 120 128 GLU H H 7.338 0.020 1 1264 120 128 GLU HA H 4.837 0.020 1 1265 120 128 GLU HB2 H 1.903 0.020 2 1266 120 128 GLU HG2 H 2.145 0.020 2 1267 120 128 GLU C C 174.698 0.400 1 1268 120 128 GLU CA C 53.949 0.400 1 1269 120 128 GLU CB C 33.679 0.400 1 1270 120 128 GLU N N 115.419 0.400 1 1271 121 129 ILE H H 8.575 0.020 1 1272 121 129 ILE HA H 4.472 0.020 1 1273 121 129 ILE HB H 1.920 0.020 1 1274 121 129 ILE HD1 H 0.725 0.020 1 1275 121 129 ILE HG12 H 1.017 0.020 2 1276 121 129 ILE HG13 H 1.324 0.020 2 1277 121 129 ILE HG2 H 0.995 0.020 1 1278 121 129 ILE C C 173.987 0.400 1 1279 121 129 ILE CA C 57.910 0.400 1 1280 121 129 ILE CB C 38.697 0.400 1 1281 121 129 ILE CD1 C 11.646 0.400 1 1282 121 129 ILE CG1 C 26.919 0.400 1 1283 121 129 ILE CG2 C 19.119 0.400 1 1284 121 129 ILE N N 121.746 0.400 1 1285 122 130 HIS H H 7.434 0.020 1 1286 122 130 HIS HA H 4.872 0.020 1 1287 122 130 HIS HB2 H 2.558 0.020 2 1288 122 130 HIS HB3 H 3.162 0.020 2 1289 122 130 HIS HD2 H 7.163 0.020 1 1290 122 130 HIS HE1 H 8.234 0.020 1 1291 122 130 HIS C C 175.220 0.400 1 1292 122 130 HIS CA C 56.675 0.400 1 1293 122 130 HIS CB C 32.987 0.400 1 1294 122 130 HIS CD2 C 118.502 0.400 1 1295 122 130 HIS CE1 C 137.469 0.400 1 1296 122 130 HIS N N 118.162 0.400 1 1297 122 130 HIS NE2 N 174.511 0.400 1 1298 123 131 SER H H 8.064 0.020 1 1299 123 131 SER HA H 4.653 0.020 1 1300 123 131 SER HB2 H 4.292 0.020 2 1301 123 131 SER HB3 H 4.292 0.020 2 1302 123 131 SER C C 171.781 0.400 1 1303 123 131 SER CA C 60.086 0.400 1 1304 123 131 SER CB C 64.774 0.400 1 1305 123 131 SER N N 108.817 0.400 1 1306 124 132 LEU H H 9.850 0.020 1 1307 124 132 LEU HA H 5.289 0.020 1 1308 124 132 LEU HB2 H 1.894 0.020 2 1309 124 132 LEU HB3 H 1.324 0.020 2 1310 124 132 LEU HD1 H 0.131 0.020 2 1311 124 132 LEU HD2 H -0.547 0.020 2 1312 124 132 LEU HG H 1.504 0.020 1 1313 124 132 LEU C C 173.860 0.400 1 1314 124 132 LEU CA C 56.072 0.400 1 1315 124 132 LEU CB C 44.711 0.400 1 1316 124 132 LEU CD1 C 28.494 0.400 1 1317 124 132 LEU CD2 C 27.488 0.400 1 1318 124 132 LEU CG C 25.183 0.400 1 1319 124 132 LEU N N 114.888 0.400 1 1320 125 133 ASN H H 9.275 0.020 1 1321 125 133 ASN HA H 5.407 0.020 1 1322 125 133 ASN HB2 H 2.573 0.020 2 1323 125 133 ASN HB3 H 2.229 0.020 2 1324 125 133 ASN HD21 H 6.161 0.020 2 1325 125 133 ASN HD22 H 7.074 0.020 2 1326 125 133 ASN C C 174.812 0.400 1 1327 125 133 ASN CA C 51.926 0.400 1 1328 125 133 ASN CB C 41.891 0.400 1 1329 125 133 ASN N N 118.672 0.400 1 1330 125 133 ASN ND2 N 107.236 0.400 1 1331 126 134 VAL H H 9.061 0.020 1 1332 126 134 VAL HA H 3.951 0.020 1 1333 126 134 VAL HB H 2.590 0.020 1 1334 126 134 VAL HG1 H 0.929 0.020 2 1335 126 134 VAL HG2 H 0.612 0.020 2 1336 126 134 VAL C C 175.281 0.400 1 1337 126 134 VAL CA C 62.967 0.400 1 1338 126 134 VAL CB C 30.346 0.400 1 1339 126 134 VAL CG1 C 24.330 0.400 1 1340 126 134 VAL CG2 C 22.718 0.400 1 1341 126 134 VAL N N 126.978 0.400 1 1342 127 135 LEU H H 7.489 0.020 1 1343 127 135 LEU HA H 4.104 0.020 1 1344 127 135 LEU HB2 H 1.677 0.020 2 1345 127 135 LEU HB3 H 1.198 0.020 2 1346 127 135 LEU HD1 H 0.682 0.020 2 1347 127 135 LEU HD2 H 0.587 0.020 2 1348 127 135 LEU HG H 1.375 0.020 1 1349 127 135 LEU C C 177.337 0.400 1 1350 127 135 LEU CA C 57.691 0.400 1 1351 127 135 LEU CB C 42.778 0.400 1 1352 127 135 LEU CD1 C 23.967 0.400 1 1353 127 135 LEU CD2 C 24.947 0.400 1 1354 127 135 LEU CG C 28.330 0.400 1 1355 127 135 LEU N N 129.344 0.400 1 1356 128 136 GLU H H 8.319 0.020 1 1357 128 136 GLU HA H 4.374 0.020 1 1358 128 136 GLU HB2 H 1.730 0.020 2 1359 128 136 GLU HB3 H 1.570 0.020 2 1360 128 136 GLU HG2 H 1.836 0.020 2 1361 128 136 GLU HG3 H 2.131 0.020 2 1362 128 136 GLU C C 175.636 0.400 1 1363 128 136 GLU CA C 55.714 0.400 1 1364 128 136 GLU CB C 33.539 0.400 1 1365 128 136 GLU CG C 36.039 0.400 1 1366 128 136 GLU N N 116.072 0.400 1 1367 129 137 GLY H H 8.702 0.020 1 1368 129 137 GLY HA2 H 3.579 0.020 2 1369 129 137 GLY HA3 H 3.317 0.020 2 1370 129 137 GLY C C 180.942 0.400 1 1371 129 137 GLY CA C 44.580 0.400 1 1372 129 137 GLY N N 112.693 0.400 1 1373 130 138 SER H H 7.055 0.020 1 1374 130 138 SER HA H 5.450 0.020 1 1375 130 138 SER HB2 H 3.514 0.020 2 1376 130 138 SER HB3 H 3.434 0.020 2 1377 130 138 SER C C 174.011 0.400 1 1378 130 138 SER CA C 58.530 0.400 1 1379 130 138 SER CB C 64.149 0.400 1 1380 130 138 SER N N 108.214 0.400 1 1381 131 139 TRP H H 8.908 0.020 1 1382 131 139 TRP HA H 4.883 0.020 1 1383 131 139 TRP HB2 H 2.429 0.020 2 1384 131 139 TRP HB3 H 2.791 0.020 2 1385 131 139 TRP HD1 H 6.960 0.020 1 1386 131 139 TRP HE1 H 8.540 0.020 1 1387 131 139 TRP HE3 H 6.838 0.020 1 1388 131 139 TRP HH2 H 6.510 0.020 1 1389 131 139 TRP HZ2 H 6.831 0.020 1 1390 131 139 TRP HZ3 H 6.607 0.020 1 1391 131 139 TRP C C 173.227 0.400 1 1392 131 139 TRP CA C 55.748 0.400 1 1393 131 139 TRP CB C 33.273 0.400 1 1394 131 139 TRP CD1 C 126.926 0.400 1 1395 131 139 TRP CH2 C 124.672 0.400 1 1396 131 139 TRP CZ2 C 114.620 0.400 1 1397 131 139 TRP CZ3 C 123.067 0.400 1 1398 131 139 TRP N N 122.789 0.400 1 1399 131 139 TRP NE1 N 123.872 0.400 1 1400 132 140 VAL H H 9.204 0.020 1 1401 132 140 VAL HA H 4.331 0.020 1 1402 132 140 VAL HB H 1.261 0.020 1 1403 132 140 VAL HG1 H 0.017 0.020 2 1404 132 140 VAL HG2 H -0.090 0.020 2 1405 132 140 VAL C C 174.486 0.400 1 1406 132 140 VAL CA C 61.654 0.400 1 1407 132 140 VAL CB C 33.825 0.400 1 1408 132 140 VAL CG1 C 21.634 0.400 1 1409 132 140 VAL CG2 C 20.850 0.400 1 1410 132 140 VAL N N 119.945 0.400 1 1411 133 141 LEU H H 8.813 0.020 1 1412 133 141 LEU HA H 4.527 0.020 1 1413 133 141 LEU HB2 H 1.570 0.020 2 1414 133 141 LEU HB3 H 1.322 0.020 2 1415 133 141 LEU HD1 H 0.070 0.020 2 1416 133 141 LEU HD2 H 0.122 0.020 2 1417 133 141 LEU HG H 1.335 0.020 1 1418 133 141 LEU C C 174.572 0.400 1 1419 133 141 LEU CA C 53.654 0.400 1 1420 133 141 LEU CB C 44.726 0.400 1 1421 133 141 LEU CD1 C 24.029 0.400 1 1422 133 141 LEU CD2 C 23.707 0.400 1 1423 133 141 LEU CG C 27.398 0.400 1 1424 133 141 LEU N N 129.082 0.400 1 1425 134 142 TYR H H 8.510 0.020 1 1426 134 142 TYR HA H 5.354 0.020 1 1427 134 142 TYR HB2 H 3.336 0.020 2 1428 134 142 TYR HB3 H 3.031 0.020 2 1429 134 142 TYR HD1 H 6.539 0.020 1 1430 134 142 TYR HD2 H 6.539 0.020 1 1431 134 142 TYR HE1 H 6.367 0.020 1 1432 134 142 TYR HE2 H 6.367 0.020 1 1433 134 142 TYR C C 177.002 0.400 1 1434 134 142 TYR CA C 56.312 0.400 1 1435 134 142 TYR CB C 39.269 0.400 1 1436 134 142 TYR N N 118.716 0.400 1 1437 135 143 GLU H H 9.337 0.020 1 1438 135 143 GLU HA H 4.152 0.020 1 1439 135 143 GLU HB2 H 2.371 0.020 2 1440 135 143 GLU HB3 H 2.181 0.020 2 1441 135 143 GLU HG2 H 2.066 0.020 2 1442 135 143 GLU HG3 H 2.574 0.020 2 1443 135 143 GLU C C 174.370 0.400 1 1444 135 143 GLU CA C 58.504 0.400 1 1445 135 143 GLU CB C 33.614 0.400 1 1446 135 143 GLU CG C 35.087 0.400 1 1447 135 143 GLU N N 124.314 0.400 1 1448 136 144 LEU H H 7.841 0.020 1 1449 136 144 LEU HA H 4.772 0.020 1 1450 136 144 LEU HB2 H 1.454 0.020 2 1451 136 144 LEU HB3 H 1.454 0.020 2 1452 136 144 LEU HD1 H 0.751 0.020 2 1453 136 144 LEU HD2 H 0.803 0.020 2 1454 136 144 LEU HG H 1.342 0.020 1 1455 136 144 LEU C C 177.233 0.400 1 1456 136 144 LEU CA C 51.791 0.400 1 1457 136 144 LEU CB C 44.877 0.400 1 1458 136 144 LEU CD1 C 24.971 0.400 1 1459 136 144 LEU CD2 C 23.684 0.400 1 1460 136 144 LEU CG C 27.419 0.400 1 1461 136 144 LEU N N 110.872 0.400 1 1462 137 145 SER H H 8.467 0.020 1 1463 137 145 SER HA H 3.926 0.020 1 1464 137 145 SER HB2 H 4.086 0.020 2 1465 137 145 SER HB3 H 3.974 0.020 2 1466 137 145 SER C C 173.482 0.400 1 1467 137 145 SER CA C 58.027 0.400 1 1468 137 145 SER CB C 63.764 0.400 1 1469 137 145 SER N N 115.623 0.400 1 1470 138 146 ASN H H 9.559 0.020 1 1471 138 146 ASN HA H 3.403 0.020 1 1472 138 146 ASN HB2 H 2.723 0.020 2 1473 138 146 ASN HB3 H 2.440 0.020 2 1474 138 146 ASN HD22 H 7.209 0.020 2 1475 138 146 ASN C C 172.911 0.400 1 1476 138 146 ASN CA C 54.277 0.400 1 1477 138 146 ASN CB C 36.768 0.400 1 1478 138 146 ASN N N 114.178 0.400 1 1479 138 146 ASN ND2 N 112.676 0.400 1 1480 139 147 TYR H H 7.749 0.020 1 1481 139 147 TYR HA H 2.700 0.020 1 1482 139 147 TYR HB2 H 1.696 0.020 2 1483 139 147 TYR HB3 H 2.789 0.020 2 1484 139 147 TYR HD1 H 6.471 0.020 1 1485 139 147 TYR HD2 H 6.471 0.020 1 1486 139 147 TYR HE1 H 6.466 0.020 1 1487 139 147 TYR HE2 H 6.466 0.020 1 1488 139 147 TYR C C 174.646 0.400 1 1489 139 147 TYR CA C 55.779 0.400 1 1490 139 147 TYR CB C 34.044 0.400 1 1491 139 147 TYR N N 112.055 0.400 1 1492 140 148 ARG H H 6.039 0.020 1 1493 140 148 ARG HA H 4.764 0.020 1 1494 140 148 ARG HB2 H 1.595 0.020 2 1495 140 148 ARG HB3 H 1.810 0.020 2 1496 140 148 ARG HD2 H 3.173 0.020 2 1497 140 148 ARG HD3 H 3.063 0.020 2 1498 140 148 ARG HG2 H 1.803 0.020 2 1499 140 148 ARG HG3 H 1.803 0.020 2 1500 140 148 ARG C C 174.649 0.400 1 1501 140 148 ARG CA C 53.756 0.400 1 1502 140 148 ARG CB C 34.517 0.400 1 1503 140 148 ARG CG C 33.115 0.400 1 1504 140 148 ARG N N 116.549 0.400 1 1505 141 149 GLY H H 8.368 0.020 1 1506 141 149 GLY HA2 H 4.134 0.020 2 1507 141 149 GLY HA3 H 3.796 0.020 2 1508 141 149 GLY C C 173.316 0.400 1 1509 141 149 GLY CA C 43.905 0.400 1 1510 141 149 GLY N N 105.358 0.400 1 1511 142 150 ARG H H 8.514 0.020 1 1512 142 150 ARG HA H 3.923 0.020 1 1513 142 150 ARG HB2 H 1.765 0.020 2 1514 142 150 ARG HB3 H 1.495 0.020 2 1515 142 150 ARG HD2 H 3.223 0.020 2 1516 142 150 ARG HD3 H 3.122 0.020 2 1517 142 150 ARG HG2 H 1.549 0.020 2 1518 142 150 ARG HG3 H 1.788 0.020 2 1519 142 150 ARG C C 173.734 0.400 1 1520 142 150 ARG CA C 58.296 0.400 1 1521 142 150 ARG CB C 30.852 0.400 1 1522 142 150 ARG CG C 28.686 0.400 1 1523 142 150 ARG N N 119.794 0.400 1 1524 143 151 GLN H H 7.469 0.020 1 1525 143 151 GLN HA H 4.368 0.020 1 1526 143 151 GLN HB2 H 1.376 0.020 2 1527 143 151 GLN HB3 H 1.152 0.020 2 1528 143 151 GLN HE21 H 7.639 0.020 2 1529 143 151 GLN HE22 H 8.144 0.020 2 1530 143 151 GLN HG2 H 1.871 0.020 2 1531 143 151 GLN HG3 H 2.328 0.020 2 1532 143 151 GLN C C 175.661 0.400 1 1533 143 151 GLN CA C 53.287 0.400 1 1534 143 151 GLN CB C 30.728 0.400 1 1535 143 151 GLN CG C 33.905 0.400 1 1536 143 151 GLN N N 118.093 0.400 1 1537 143 151 GLN NE2 N 109.786 0.400 1 1538 144 152 TYR H H 8.480 0.020 1 1539 144 152 TYR HA H 4.646 0.020 1 1540 144 152 TYR HB2 H 2.437 0.020 2 1541 144 152 TYR HB3 H 3.192 0.020 2 1542 144 152 TYR HD1 H 6.574 0.020 1 1543 144 152 TYR HD2 H 6.574 0.020 1 1544 144 152 TYR HE1 H 6.506 0.020 1 1545 144 152 TYR HE2 H 6.506 0.020 1 1546 144 152 TYR C C 174.745 0.400 1 1547 144 152 TYR CA C 55.133 0.400 1 1548 144 152 TYR CB C 40.816 0.400 1 1549 144 152 TYR CE1 C 119.314 0.400 1 1550 144 152 TYR N N 116.337 0.400 1 1551 145 153 LEU H H 9.090 0.020 1 1552 145 153 LEU HA H 4.383 0.020 1 1553 145 153 LEU HB2 H 1.937 0.020 2 1554 145 153 LEU HB3 H 1.779 0.020 2 1555 145 153 LEU HD1 H 0.819 0.020 2 1556 145 153 LEU HD2 H 0.819 0.020 2 1557 145 153 LEU HG H 1.322 0.020 1 1558 145 153 LEU C C 176.167 0.400 1 1559 145 153 LEU CA C 55.770 0.400 1 1560 145 153 LEU CB C 40.462 0.400 1 1561 145 153 LEU CD1 C 26.421 0.400 1 1562 145 153 LEU CD2 C 21.868 0.400 1 1563 145 153 LEU CG C 28.074 0.400 1 1564 145 153 LEU N N 126.601 0.400 1 1565 146 154 LEU H H 9.594 0.020 1 1566 146 154 LEU HA H 4.574 0.020 1 1567 146 154 LEU HB2 H 1.544 0.020 2 1568 146 154 LEU HB3 H 1.080 0.020 2 1569 146 154 LEU HD1 H 0.017 0.020 2 1570 146 154 LEU HD2 H -0.046 0.020 2 1571 146 154 LEU HG H 1.163 0.020 1 1572 146 154 LEU C C 175.231 0.400 1 1573 146 154 LEU CA C 52.332 0.400 1 1574 146 154 LEU CB C 43.880 0.400 1 1575 146 154 LEU CD1 C 26.772 0.400 1 1576 146 154 LEU CD2 C 22.827 0.400 1 1577 146 154 LEU CG C 26.074 0.400 1 1578 146 154 LEU N N 129.971 0.400 1 1579 147 155 MET H H 7.651 0.020 1 1580 147 155 MET HA H 5.063 0.020 1 1581 147 155 MET HB2 H 2.441 0.020 2 1582 147 155 MET HB3 H 2.697 0.020 2 1583 147 155 MET HE H 1.912 0.020 1 1584 147 155 MET HG2 H 1.722 0.020 2 1585 147 155 MET HG3 H 2.072 0.020 2 1586 147 155 MET CA C 53.327 0.400 1 1587 147 155 MET CB C 31.809 0.400 1 1588 147 155 MET CE C 16.257 0.400 1 1589 147 155 MET CG C 32.755 0.400 1 1590 147 155 MET N N 121.123 0.400 1 1591 148 156 PRO HA H 4.216 0.020 1 1592 148 156 PRO HB2 H 1.991 0.020 2 1593 148 156 PRO HB3 H 1.685 0.020 2 1594 148 156 PRO HD2 H 3.622 0.020 2 1595 148 156 PRO HD3 H 3.304 0.020 2 1596 148 156 PRO HG2 H 1.897 0.020 2 1597 148 156 PRO HG3 H 1.897 0.020 2 1598 148 156 PRO C C 176.514 0.400 1 1599 148 156 PRO CA C 64.740 0.400 1 1600 148 156 PRO CB C 31.762 0.400 1 1601 148 156 PRO CD C 49.782 0.400 1 1602 148 156 PRO CG C 27.713 0.400 1 1603 149 157 GLY H H 8.861 0.020 1 1604 149 157 GLY HA2 H 3.748 0.020 2 1605 149 157 GLY HA3 H 4.405 0.020 2 1606 149 157 GLY C C 170.820 0.400 1 1607 149 157 GLY CA C 44.376 0.400 1 1608 149 157 GLY N N 112.657 0.400 1 1609 150 158 ASP H H 8.052 0.020 1 1610 150 158 ASP HA H 5.115 0.020 1 1611 150 158 ASP HB2 H 2.533 0.020 2 1612 150 158 ASP HB3 H 2.322 0.020 2 1613 150 158 ASP C C 175.804 0.400 1 1614 150 158 ASP CA C 54.575 0.400 1 1615 150 158 ASP CB C 43.514 0.400 1 1616 150 158 ASP N N 117.376 0.400 1 1617 151 159 TYR H H 8.738 0.020 1 1618 151 159 TYR HA H 4.896 0.020 1 1619 151 159 TYR HB2 H 3.754 0.020 2 1620 151 159 TYR HB3 H 3.112 0.020 2 1621 151 159 TYR HD1 H 7.030 0.020 1 1622 151 159 TYR HD2 H 7.030 0.020 1 1623 151 159 TYR HE1 H 6.933 0.020 1 1624 151 159 TYR HE2 H 6.933 0.020 1 1625 151 159 TYR C C 174.796 0.400 1 1626 151 159 TYR CA C 56.625 0.400 1 1627 151 159 TYR CB C 38.863 0.400 1 1628 151 159 TYR CD1 C 134.002 0.400 1 1629 151 159 TYR CE1 C 117.659 0.400 1 1630 151 159 TYR N N 122.800 0.400 1 1631 152 160 ARG H H 8.547 0.020 1 1632 152 160 ARG HA H 3.726 0.020 1 1633 152 160 ARG HB2 H 1.853 0.020 2 1634 152 160 ARG HB3 H 1.627 0.020 2 1635 152 160 ARG HD2 H 2.918 0.020 2 1636 152 160 ARG HD3 H 2.873 0.020 2 1637 152 160 ARG HG2 H 0.998 0.020 2 1638 152 160 ARG HG3 H 1.346 0.020 2 1639 152 160 ARG C C 173.735 0.400 1 1640 152 160 ARG CA C 59.389 0.400 1 1641 152 160 ARG CB C 30.823 0.400 1 1642 152 160 ARG CD C 42.687 0.400 1 1643 152 160 ARG CG C 28.570 0.400 1 1644 152 160 ARG N N 123.811 0.400 1 1645 153 161 ARG H H 7.722 0.020 1 1646 153 161 ARG HA H 5.146 0.020 1 1647 153 161 ARG HB2 H 1.750 0.020 2 1648 153 161 ARG HB3 H 1.523 0.020 2 1649 153 161 ARG HD2 H 2.808 0.020 2 1650 153 161 ARG HD3 H 2.808 0.020 2 1651 153 161 ARG HG2 H 1.442 0.020 2 1652 153 161 ARG HG3 H 0.979 0.020 2 1653 153 161 ARG C C 176.650 0.400 1 1654 153 161 ARG CA C 53.955 0.400 1 1655 153 161 ARG CB C 32.447 0.400 1 1656 153 161 ARG N N 113.801 0.400 1 1657 154 162 TYR H H 7.414 0.020 1 1658 154 162 TYR HA H 1.003 0.020 1 1659 154 162 TYR HB2 H 1.871 0.020 2 1660 154 162 TYR HB3 H 2.071 0.020 2 1661 154 162 TYR HD1 H 6.401 0.020 1 1662 154 162 TYR HD2 H 6.401 0.020 1 1663 154 162 TYR HE1 H 6.355 0.020 1 1664 154 162 TYR HE2 H 6.355 0.020 1 1665 154 162 TYR C C 176.515 0.400 1 1666 154 162 TYR CA C 57.993 0.400 1 1667 154 162 TYR CB C 37.061 0.400 1 1668 154 162 TYR CD1 C 133.704 0.400 1 1669 154 162 TYR CE1 C 116.978 0.400 1 1670 154 162 TYR N N 119.500 0.400 1 1671 155 163 GLN H H 7.971 0.020 1 1672 155 163 GLN HA H 3.727 0.020 1 1673 155 163 GLN HB2 H 1.679 0.020 2 1674 155 163 GLN HB3 H 1.228 0.020 2 1675 155 163 GLN HE21 H 7.103 0.020 2 1676 155 163 GLN HE22 H 5.813 0.020 2 1677 155 163 GLN HG2 H 1.837 0.020 2 1678 155 163 GLN HG3 H 2.345 0.020 2 1679 155 163 GLN C C 179.803 0.400 1 1680 155 163 GLN CA C 59.279 0.400 1 1681 155 163 GLN CB C 26.599 0.400 1 1682 155 163 GLN CG C 34.208 0.400 1 1683 155 163 GLN N N 120.643 0.400 1 1684 155 163 GLN NE2 N 108.294 0.400 1 1685 156 164 ASP H H 7.906 0.020 1 1686 156 164 ASP HA H 4.475 0.020 1 1687 156 164 ASP HB2 H 3.039 0.020 2 1688 156 164 ASP HB3 H 3.179 0.020 2 1689 156 164 ASP C C 178.040 0.400 1 1690 156 164 ASP CA C 56.767 0.400 1 1691 156 164 ASP CB C 40.613 0.400 1 1692 156 164 ASP N N 118.943 0.400 1 1693 157 165 TRP H H 7.323 0.020 1 1694 157 165 TRP HA H 5.320 0.020 1 1695 157 165 TRP HB2 H 3.287 0.020 2 1696 157 165 TRP HB3 H 2.670 0.020 2 1697 157 165 TRP HD1 H 5.970 0.020 1 1698 157 165 TRP HE1 H 9.742 0.020 1 1699 157 165 TRP HE3 H 6.947 0.020 1 1700 157 165 TRP HH2 H 6.382 0.020 1 1701 157 165 TRP HZ2 H 7.100 0.020 1 1702 157 165 TRP C C 175.888 0.400 1 1703 157 165 TRP CA C 57.040 0.400 1 1704 157 165 TRP CB C 28.002 0.400 1 1705 157 165 TRP CD1 C 127.225 0.400 1 1706 157 165 TRP CH2 C 123.007 0.400 1 1707 157 165 TRP CZ2 C 114.524 0.400 1 1708 157 165 TRP N N 115.542 0.400 1 1709 157 165 TRP NE1 N 131.015 0.400 1 1710 158 166 GLY H H 7.568 0.020 1 1711 158 166 GLY HA2 H 3.665 0.020 2 1712 158 166 GLY HA3 H 4.266 0.020 2 1713 158 166 GLY C C 173.654 0.400 1 1714 158 166 GLY CA C 45.533 0.400 1 1715 158 166 GLY N N 106.871 0.400 1 1716 159 167 ALA H H 6.371 0.020 1 1717 159 167 ALA HA H 4.456 0.020 1 1718 159 167 ALA HB H 0.856 0.020 1 1719 159 167 ALA C C 177.653 0.400 1 1720 159 167 ALA CA C 51.082 0.400 1 1721 159 167 ALA CB C 21.832 0.400 1 1722 159 167 ALA N N 121.265 0.400 1 1723 160 168 THR H H 8.888 0.020 1 1724 160 168 THR HA H 4.376 0.020 1 1725 160 168 THR HB H 4.448 0.020 1 1726 160 168 THR HG2 H 1.184 0.020 1 1727 160 168 THR C C 174.087 0.400 1 1728 160 168 THR CA C 61.510 0.400 1 1729 160 168 THR CB C 69.391 0.400 1 1730 160 168 THR CG2 C 21.663 0.400 1 1731 160 168 THR N N 108.817 0.400 1 1732 161 169 ASN H H 7.449 0.020 1 1733 161 169 ASN HA H 3.633 0.020 1 1734 161 169 ASN HB2 H 2.559 0.020 2 1735 161 169 ASN HB3 H 2.712 0.020 2 1736 161 169 ASN HD21 H 6.829 0.020 2 1737 161 169 ASN HD22 H 7.426 0.020 2 1738 161 169 ASN C C 172.019 0.400 1 1739 161 169 ASN CA C 52.047 0.400 1 1740 161 169 ASN CB C 40.351 0.400 1 1741 161 169 ASN N N 116.983 0.400 1 1742 161 169 ASN ND2 N 115.690 0.400 1 1743 162 170 ALA H H 7.920 0.020 1 1744 162 170 ALA HA H 3.886 0.020 1 1745 162 170 ALA HB H 0.494 0.020 1 1746 162 170 ALA C C 175.880 0.400 1 1747 162 170 ALA CA C 51.344 0.400 1 1748 162 170 ALA CB C 18.688 0.400 1 1749 162 170 ALA N N 119.997 0.400 1 1750 163 171 ARG H H 7.946 0.020 1 1751 163 171 ARG HA H 4.226 0.020 1 1752 163 171 ARG HB2 H 1.748 0.020 2 1753 163 171 ARG HB3 H 1.857 0.020 2 1754 163 171 ARG HD2 H 3.165 0.020 2 1755 163 171 ARG HD3 H 3.100 0.020 2 1756 163 171 ARG HG2 H 1.620 0.020 2 1757 163 171 ARG HG3 H 1.531 0.020 2 1758 163 171 ARG C C 176.764 0.400 1 1759 163 171 ARG CA C 58.596 0.400 1 1760 163 171 ARG CB C 29.935 0.400 1 1761 163 171 ARG CD C 43.470 0.400 1 1762 163 171 ARG CG C 27.751 0.400 1 1763 163 171 ARG N N 118.989 0.400 1 1764 164 172 VAL H H 7.231 0.020 1 1765 164 172 VAL HA H 4.442 0.020 1 1766 164 172 VAL HB H 1.661 0.020 1 1767 164 172 VAL HG1 H 0.768 0.020 2 1768 164 172 VAL HG2 H 0.768 0.020 2 1769 164 172 VAL C C 174.486 0.400 1 1770 164 172 VAL CA C 61.961 0.400 1 1771 164 172 VAL CB C 36.689 0.400 1 1772 164 172 VAL CG1 C 22.543 0.400 1 1773 164 172 VAL N N 122.188 0.400 1 1774 165 173 GLY H H 9.021 0.020 1 1775 165 173 GLY HA2 H 4.949 0.020 2 1776 165 173 GLY HA3 H 3.196 0.020 2 1777 165 173 GLY C C 174.305 0.400 1 1778 165 173 GLY CA C 44.888 0.400 1 1779 165 173 GLY N N 110.632 0.400 1 1780 166 174 SER H H 8.157 0.020 1 1781 166 174 SER HA H 4.226 0.020 1 1782 166 174 SER HB2 H 3.809 0.020 2 1783 166 174 SER HB3 H 3.809 0.020 2 1784 166 174 SER C C 172.069 0.400 1 1785 166 174 SER CA C 58.988 0.400 1 1786 166 174 SER CB C 64.065 0.400 1 1787 166 174 SER N N 112.530 0.400 1 1788 167 175 LEU H H 8.791 0.020 1 1789 167 175 LEU HA H 5.546 0.020 1 1790 167 175 LEU HB2 H 1.381 0.020 2 1791 167 175 LEU HB3 H 1.763 0.020 2 1792 167 175 LEU HD1 H 0.244 0.020 2 1793 167 175 LEU HD2 H 0.244 0.020 2 1794 167 175 LEU HG H 1.519 0.020 1 1795 167 175 LEU C C 173.771 0.400 1 1796 167 175 LEU CA C 55.874 0.400 1 1797 167 175 LEU CB C 44.853 0.400 1 1798 167 175 LEU CD1 C 26.722 0.400 1 1799 167 175 LEU CG C 26.936 0.400 1 1800 167 175 LEU N N 116.026 0.400 1 1801 168 176 ARG H H 9.318 0.020 1 1802 168 176 ARG HA H 4.786 0.020 1 1803 168 176 ARG HB2 H 1.549 0.020 2 1804 168 176 ARG HB3 H 1.549 0.020 2 1805 168 176 ARG HD2 H 2.607 0.020 2 1806 168 176 ARG HD3 H 2.343 0.020 2 1807 168 176 ARG HG2 H 1.312 0.020 2 1808 168 176 ARG HG3 H 1.127 0.020 2 1809 168 176 ARG C C 174.093 0.400 1 1810 168 176 ARG CA C 53.693 0.400 1 1811 168 176 ARG CB C 35.171 0.400 1 1812 168 176 ARG CD C 43.847 0.400 1 1813 168 176 ARG CG C 25.777 0.400 1 1814 168 176 ARG N N 120.777 0.400 1 1815 169 177 ARG H H 8.456 0.020 1 1816 169 177 ARG HA H 2.702 0.020 1 1817 169 177 ARG HB2 H 0.749 0.020 2 1818 169 177 ARG HB3 H -1.025 0.020 2 1819 169 177 ARG HE H 6.329 0.020 1 1820 169 177 ARG HG2 H 0.406 0.020 2 1821 169 177 ARG HG3 H -1.050 0.020 2 1822 169 177 ARG C C 176.547 0.400 1 1823 169 177 ARG CA C 55.286 0.400 1 1824 169 177 ARG CB C 30.454 0.400 1 1825 169 177 ARG CG C 24.868 0.400 1 1826 169 177 ARG N N 123.419 0.400 1 1827 169 177 ARG NE N 83.496 0.400 1 1828 170 178 VAL H H 8.080 0.020 1 1829 170 178 VAL HA H 3.415 0.020 1 1830 170 178 VAL HB H 1.713 0.020 1 1831 170 178 VAL HG1 H 0.198 0.020 2 1832 170 178 VAL HG2 H 0.762 0.020 2 1833 170 178 VAL C C 174.174 0.400 1 1834 170 178 VAL CA C 63.995 0.400 1 1835 170 178 VAL CB C 29.517 0.400 1 1836 170 178 VAL CG1 C 20.747 0.400 1 1837 170 178 VAL CG2 C 22.034 0.400 1 1838 170 178 VAL N N 122.007 0.400 1 1839 171 179 ILE H H 7.623 0.020 1 1840 171 179 ILE HA H 4.227 0.020 1 1841 171 179 ILE HB H 1.340 0.020 1 1842 171 179 ILE HD1 H 0.451 0.020 1 1843 171 179 ILE HG12 H 0.663 0.020 2 1844 171 179 ILE HG13 H 0.881 0.020 2 1845 171 179 ILE HG2 H 0.489 0.020 1 1846 171 179 ILE C C 173.834 0.400 1 1847 171 179 ILE CA C 59.785 0.400 1 1848 171 179 ILE CB C 41.175 0.400 1 1849 171 179 ILE CD1 C 12.908 0.400 1 1850 171 179 ILE CG1 C 27.074 0.400 1 1851 171 179 ILE CG2 C 16.985 0.400 1 1852 171 179 ILE N N 129.753 0.400 1 1853 172 180 ASP H H 8.722 0.020 1 1854 172 180 ASP HA H 4.439 0.020 1 1855 172 180 ASP HB2 H 2.584 0.020 2 1856 172 180 ASP HB3 H 2.502 0.020 2 1857 172 180 ASP C C 175.597 0.400 1 1858 172 180 ASP CA C 53.646 0.400 1 1859 172 180 ASP CB C 41.508 0.400 1 1860 172 180 ASP N N 125.981 0.400 1 1861 173 181 PHE H H 8.101 0.020 1 1862 173 181 PHE HA H 4.540 0.020 1 1863 173 181 PHE HB2 H 3.108 0.020 2 1864 173 181 PHE HB3 H 2.843 0.020 2 1865 173 181 PHE HD1 H 7.149 0.020 1 1866 173 181 PHE HD2 H 7.149 0.020 1 1867 173 181 PHE C C 174.719 0.400 1 1868 173 181 PHE CA C 57.659 0.400 1 1869 173 181 PHE CB C 39.811 0.400 1 1870 173 181 PHE CD1 C 131.504 0.400 1 1871 173 181 PHE N N 121.568 0.400 1 1872 174 182 SER H H 7.893 0.020 1 1873 174 182 SER HA H 4.085 0.020 1 1874 174 182 SER HB2 H 3.716 0.020 2 1875 174 182 SER HB3 H 3.716 0.020 2 1876 174 182 SER CA C 60.181 0.400 1 1877 174 182 SER CB C 64.782 0.400 1 1878 174 182 SER N N 122.502 0.400 1 stop_ save_