data_AVS_bmrb_pdb_report_6249 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6249 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability 6249 1 1 1 1 9 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 14 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 19 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 39 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 41 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 59 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 62 VAL Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6249 1 1 1 1 74 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 80 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 81 SER Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6249 1 1 1 1 84 PRO Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 6249 1 1 1 1 88 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 89 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 99 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 107 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 116 LYS Anomalous Consistent Consistent Anomalous Anomalous Consistent . . 6249 1 1 1 1 137 ASN Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6249 1 1 1 1 141 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 165 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 168 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 170 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 174 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 184 LYS Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6249 1 1 1 1 199 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 202 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 207 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 208 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 212 LEU Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 0.9998 6249 1 1 1 1 216 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 222 THR Anomalous Consistent Consistent Anomalous Anomalous Consistent . . 6249 1 1 1 1 223 VAL Anomalous Indeterminable Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 226 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 230 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 234 LYS Anomalous Indeterminable Consistent Suspicious Anomalous Consistent . . 6249 1 1 1 1 235 TRP Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 6249 1 1 1 1 236 LYS Anomalous Indeterminable Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 241 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 251 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 255 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 258 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 264 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 266 ARG Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6249 1 1 1 1 272 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 273 LEU Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 0.9998 6249 1 1 1 1 274 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6249 1 1 1 1 279 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6249 1 1 1 1 290 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr 6249 1 1 1 1 9 GLU C 181.890 M 176.93 2.11 1.8738e-02 6249 1 1 1 1 9 GLU CA 53.520 . 57.42 2.19 7.4942e-02 6249 1 1 1 1 9 GLU CB 27.940 . 30.07 1.84 2.4702e-01 6249 1 1 1 1 9 GLU H 6.860 . 8.34 0.61 1.5257e-02 6249 1 1 1 1 9 GLU HA 4.610 . 4.26 0.43 4.1567e-01 6249 1 1 1 1 9 GLU N 122.900 . 120.68 3.68 5.4634e-01 6249 1 1 1 1 14 ASN C 181.890 M 175.16 1.76 1.3138e-04 6249 1 1 1 1 14 ASN CA 51.100 . 53.43 1.94 2.2974e-01 6249 1 1 1 1 14 ASN CB 38.260 . 38.66 1.78 8.2220e-01 6249 1 1 1 1 14 ASN H 6.560 . 8.37 0.65 5.3591e-03 6249 1 1 1 1 14 ASN HA 4.960 . 4.7 0.39 5.0499e-01 6249 1 1 1 1 14 ASN N 118.830 . 119.13 4.42 9.4589e-01 6249 1 1 1 1 19 THR C 181.890 M 174.6 1.8 5.1218e-05 6249 1 1 1 1 19 THR CA 59.380 . 62.15 2.72 3.0850e-01 6249 1 1 1 1 19 THR CB 69.250 . 69.64 1.7 8.1855e-01 6249 1 1 1 1 19 THR H 6.420 . 8.27 0.62 2.8463e-03 6249 1 1 1 1 19 THR HA 4.650 . 4.48 0.5 7.3386e-01 6249 1 1 1 1 19 THR N 118.240 . 115.7 5.05 6.1498e-01 6249 1 1 1 1 39 VAL C 181.890 M 175.69 2.03 2.2567e-03 6249 1 1 1 1 39 VAL CA 59.630 . 62.48 3.04 3.4850e-01 6249 1 1 1 1 39 VAL CB 31.690 . 32.66 1.91 6.1156e-01 6249 1 1 1 1 39 VAL H 6.180 . 8.29 0.71 2.9603e-03 6249 1 1 1 1 39 VAL HA 4.460 . 4.16 0.57 5.9867e-01 6249 1 1 1 1 39 VAL N 122.610 . 121.02 4.96 7.4854e-01 6249 1 1 1 1 41 GLU C 181.890 M 176.93 2.11 1.8738e-02 6249 1 1 1 1 41 GLU CA 56.530 . 57.42 2.19 6.8445e-01 6249 1 1 1 1 41 GLU CB 29.150 . 30.07 1.84 6.1707e-01 6249 1 1 1 1 41 GLU H 6.960 . 8.34 0.61 2.3679e-02 6249 1 1 1 1 41 GLU HA 4.220 . 4.26 0.43 9.2589e-01 6249 1 1 1 1 41 GLU N 120.750 . 120.68 3.68 9.8482e-01 6249 1 1 1 1 59 THR C 175.310 . 174.6 1.8 6.9325e-01 6249 1 1 1 1 59 THR CA 60.600 . 62.15 2.72 5.6878e-01 6249 1 1 1 1 59 THR CB 70.140 . 69.64 1.7 7.6867e-01 6249 1 1 1 1 59 THR H 5.120 M 8.27 0.62 3.7616e-07 6249 1 1 1 1 59 THR HA 4.380 . 4.48 0.5 8.4148e-01 6249 1 1 1 1 59 THR N 113.630 . 115.7 5.05 6.8188e-01 6249 1 1 1 1 62 VAL C 181.890 M 175.69 2.03 2.2567e-03 6249 1 1 1 1 62 VAL CA 65.870 . 62.48 3.04 2.6479e-01 6249 1 1 1 1 62 VAL CB 30.790 . 32.66 1.91 3.2755e-01 6249 1 1 1 1 62 VAL H 5.090 S 8.29 0.71 6.5738e-06 6249 1 1 1 1 62 VAL HA 3.760 . 4.16 0.57 4.8283e-01 6249 1 1 1 1 62 VAL N 122.560 . 121.02 4.96 7.5619e-01 6249 1 1 1 1 74 PHE C 177.080 . 175.49 2.13 4.5538e-01 6249 1 1 1 1 74 PHE CA 59.950 . 58.25 2.73 5.3347e-01 6249 1 1 1 1 74 PHE CB 38.020 . 39.95 2.04 3.4411e-01 6249 1 1 1 1 74 PHE H 5.300 M 8.42 0.74 2.4844e-05 6249 1 1 1 1 74 PHE HA 4.500 . 4.62 0.58 8.3609e-01 6249 1 1 1 1 74 PHE N 120.550 . 120.69 4.18 9.7328e-01 6249 1 1 1 1 80 LYS C 176.090 . 176.46 2.05 8.5677e-01 6249 1 1 1 1 80 LYS CA 56.880 . 56.84 2.25 9.8582e-01 6249 1 1 1 1 80 LYS CB 31.910 . 32.83 1.88 6.2459e-01 6249 1 1 1 1 80 LYS H 4.390 M 8.22 0.64 2.1722e-09 6249 1 1 1 1 80 LYS HA 4.200 . 4.28 0.45 8.5890e-01 6249 1 1 1 1 80 LYS N 115.450 . 121.16 4.11 1.6474e-01 6249 1 1 1 1 81 SER C 181.890 M 174.53 1.73 2.0967e-05 6249 1 1 1 1 81 SER CA 56.580 . 58.57 2.12 3.4790e-01 6249 1 1 1 1 81 SER CB 64.540 . 63.8 1.57 6.3740e-01 6249 1 1 1 1 81 SER H 5.730 S 8.29 0.62 3.6429e-05 6249 1 1 1 1 81 SER HA 4.630 . 4.51 0.43 7.8019e-01 6249 1 1 1 1 81 SER N 115.150 . 116.3 3.95 7.7094e-01 6249 1 1 1 1 84 PRO C 181.890 . 176.7 1.69 2.1334e-03 6249 1 1 1 1 84 PRO CA 68.410 M 63.3 1.64 1.8341e-03 6249 1 1 1 1 88 LEU C 181.530 . 176.97 2.09 2.9123e-02 6249 1 1 1 1 88 LEU CA 56.900 . 55.65 2.21 5.7166e-01 6249 1 1 1 1 88 LEU CB 38.340 . 42.37 1.86 3.0260e-02 6249 1 1 1 1 88 LEU H 4.250 M 8.22 0.65 1.0108e-09 6249 1 1 1 1 88 LEU HA 4.240 . 4.32 0.47 8.6484e-01 6249 1 1 1 1 88 LEU N 118.780 . 121.98 4.07 4.3173e-01 6249 1 1 1 1 89 GLN C 177.460 . 176.39 1.96 5.8512e-01 6249 1 1 1 1 89 GLN CA 59.340 . 56.62 2.19 2.1423e-01 6249 1 1 1 1 89 GLN CB 29.170 . 29.1 1.97 9.7165e-01 6249 1 1 1 1 89 GLN H 5.720 M 8.22 0.62 5.5243e-05 6249 1 1 1 1 89 GLN N 121.870 . 119.92 4.01 6.2677e-01 6249 1 1 1 1 99 THR C 175.600 . 174.6 1.8 5.7851e-01 6249 1 1 1 1 99 THR CA 60.680 . 62.15 2.72 5.8889e-01 6249 1 1 1 1 99 THR CB 69.130 . 69.64 1.7 7.6418e-01 6249 1 1 1 1 99 THR H 5.260 M 8.27 0.62 1.2048e-06 6249 1 1 1 1 99 THR HA 5.090 . 4.48 0.5 2.2246e-01 6249 1 1 1 1 99 THR N 103.970 . 115.7 5.05 2.0191e-02 6249 1 1 1 1 107 SER C 181.890 M 174.53 1.73 2.0967e-05 6249 1 1 1 1 107 SER CA 61.520 . 58.57 2.12 1.6407e-01 6249 1 1 1 1 107 SER CB 62.280 . 63.8 1.57 3.3297e-01 6249 1 1 1 1 107 SER H 7.360 . 8.29 0.62 1.3361e-01 6249 1 1 1 1 107 SER HA 3.970 . 4.51 0.43 2.0918e-01 6249 1 1 1 1 107 SER N 124.420 . 116.3 3.95 3.9812e-02 6249 1 1 1 1 116 LYS C 181.890 M 176.46 2.05 8.0783e-03 6249 1 1 1 1 116 LYS CA 57.360 . 56.84 2.25 8.1723e-01 6249 1 1 1 1 116 LYS CB 30.870 . 32.83 1.88 2.9716e-01 6249 1 1 1 1 116 LYS H 4.250 M 8.22 0.64 5.5353e-10 6249 1 1 1 1 116 LYS HA 4.200 . 4.28 0.45 8.5890e-01 6249 1 1 1 1 116 LYS N 117.800 . 121.16 4.11 4.1363e-01 6249 1 1 1 1 137 ASN C 181.890 M 175.16 1.76 1.3138e-04 6249 1 1 1 1 137 ASN CA 55.840 . 53.43 1.94 2.1414e-01 6249 1 1 1 1 137 ASN CB 37.330 . 38.66 1.78 4.5495e-01 6249 1 1 1 1 137 ASN H 6.070 S 8.37 0.65 4.0247e-04 6249 1 1 1 1 137 ASN HA 4.490 . 4.7 0.39 5.9026e-01 6249 1 1 1 1 137 ASN N 117.310 . 119.13 4.42 6.8051e-01 6249 1 1 1 1 141 LYS C 180.150 . 176.46 2.05 7.1861e-02 6249 1 1 1 1 141 LYS CA 59.430 . 56.84 2.25 2.4969e-01 6249 1 1 1 1 141 LYS CB 32.160 . 32.83 1.88 7.2155e-01 6249 1 1 1 1 141 LYS H 5.240 M 8.22 0.64 3.2202e-06 6249 1 1 1 1 141 LYS HA 4.240 . 4.28 0.45 9.2917e-01 6249 1 1 1 1 141 LYS N 119.030 . 121.16 4.11 6.0428e-01 6249 1 1 1 1 165 LEU C 177.610 . 176.97 2.09 7.5944e-01 6249 1 1 1 1 165 LEU CA 57.450 . 55.65 2.21 4.1537e-01 6249 1 1 1 1 165 LEU CB 40.590 . 42.37 1.86 3.3857e-01 6249 1 1 1 1 165 LEU H 5.080 M 8.22 0.65 1.3601e-06 6249 1 1 1 1 165 LEU HA 4.230 . 4.32 0.47 8.4814e-01 6249 1 1 1 1 165 LEU N 124.820 . 121.98 4.07 4.8531e-01 6249 1 1 1 1 168 LYS C 178.770 . 176.46 2.05 2.5981e-01 6249 1 1 1 1 168 LYS CA 58.870 . 56.84 2.25 3.6694e-01 6249 1 1 1 1 168 LYS CB 30.200 . 32.83 1.88 1.6183e-01 6249 1 1 1 1 168 LYS H 5.120 M 8.22 0.64 1.2741e-06 6249 1 1 1 1 168 LYS HA 4.220 . 4.28 0.45 8.9393e-01 6249 1 1 1 1 168 LYS N 122.460 . 121.16 4.11 7.5177e-01 6249 1 1 1 1 170 SER C 181.890 M 174.53 1.73 2.0967e-05 6249 1 1 1 1 170 SER CA 61.680 . 58.57 2.12 1.4238e-01 6249 1 1 1 1 170 SER CB 62.250 . 63.8 1.57 3.2351e-01 6249 1 1 1 1 170 SER H 7.130 . 8.29 0.62 6.1350e-02 6249 1 1 1 1 170 SER HA 4.110 . 4.51 0.43 3.5225e-01 6249 1 1 1 1 170 SER N 113.480 . 116.3 3.95 4.7527e-01 6249 1 1 1 1 174 LYS C 181.890 M 176.46 2.05 8.0783e-03 6249 1 1 1 1 174 LYS CA 59.310 . 56.84 2.25 2.7230e-01 6249 1 1 1 1 174 LYS CB 31.250 . 32.83 1.88 4.0067e-01 6249 1 1 1 1 174 LYS H 6.230 . 8.22 0.64 1.8748e-03 6249 1 1 1 1 174 LYS HA 4.070 . 4.28 0.45 6.4074e-01 6249 1 1 1 1 174 LYS N 120.060 . 121.16 4.11 7.8898e-01 6249 1 1 1 1 184 LYS C 181.890 M 176.46 2.05 8.0783e-03 6249 1 1 1 1 184 LYS CA 55.790 . 56.84 2.25 6.4074e-01 6249 1 1 1 1 184 LYS CB 31.280 . 32.83 1.88 4.0967e-01 6249 1 1 1 1 184 LYS H 5.750 S 8.22 0.64 1.1368e-04 6249 1 1 1 1 184 LYS HA 4.350 . 4.28 0.45 8.7638e-01 6249 1 1 1 1 184 LYS N 117.650 . 121.16 4.11 3.9310e-01 6249 1 1 1 1 199 GLU C 181.890 M 176.93 2.11 1.8738e-02 6249 1 1 1 1 199 GLU CA 58.840 . 57.42 2.19 5.1673e-01 6249 1 1 1 1 199 GLU CB 28.850 . 30.07 1.84 5.0730e-01 6249 1 1 1 1 199 GLU H 7.120 . 8.34 0.61 4.5500e-02 6249 1 1 1 1 199 GLU HA 4.100 . 4.26 0.43 7.0982e-01 6249 1 1 1 1 199 GLU N 120.060 . 120.68 3.68 8.6621e-01 6249 1 1 1 1 202 LYS C 179.680 . 176.46 2.05 1.1624e-01 6249 1 1 1 1 202 LYS CA 59.430 . 56.84 2.25 2.4969e-01 6249 1 1 1 1 202 LYS CB 31.120 . 32.83 1.88 3.6305e-01 6249 1 1 1 1 202 LYS H 4.920 M 8.22 0.64 2.5194e-07 6249 1 1 1 1 202 LYS HA 4.070 . 4.28 0.45 6.4074e-01 6249 1 1 1 1 202 LYS N 119.030 . 121.16 4.11 6.0428e-01 6249 1 1 1 1 207 LEU C 175.330 . 176.97 2.09 4.3264e-01 6249 1 1 1 1 207 LEU CA 55.320 . 55.65 2.21 8.8130e-01 6249 1 1 1 1 207 LEU CB 41.660 . 42.37 1.86 7.0267e-01 6249 1 1 1 1 207 LEU H 4.380 M 8.22 0.65 3.4693e-09 6249 1 1 1 1 207 LEU HA 4.240 . 4.32 0.47 8.6484e-01 6249 1 1 1 1 207 LEU N 119.810 . 121.98 4.07 5.9392e-01 6249 1 1 1 1 208 THR C 181.890 M 174.6 1.8 5.1218e-05 6249 1 1 1 1 208 THR CA 58.190 . 62.15 2.72 1.4542e-01 6249 1 1 1 1 208 THR CB 70.680 . 69.64 1.7 5.4069e-01 6249 1 1 1 1 208 THR H 6.320 . 8.27 0.62 1.6600e-03 6249 1 1 1 1 208 THR N 116.230 . 115.7 5.05 9.1642e-01 6249 1 1 1 1 212 LEU C 177.100 . 176.97 2.09 9.5040e-01 6249 1 1 1 1 212 LEU CA 52.700 . 55.65 2.21 1.8193e-01 6249 1 1 1 1 212 LEU CB 42.980 . 42.37 1.86 7.4294e-01 6249 1 1 1 1 212 LEU H 3.010 M 8.22 0.65 1.0979e-15 6249 1 1 1 1 212 LEU HA 4.620 . 4.32 0.47 5.2328e-01 6249 1 1 1 1 212 LEU N 116.670 . 121.98 4.07 1.9201e-01 6249 1 1 1 1 216 ASP C 178.030 . 176.41 1.77 3.6006e-01 6249 1 1 1 1 216 ASP CA 57.060 . 54.52 2.1 2.2646e-01 6249 1 1 1 1 216 ASP CB 40.820 . 40.7 1.67 9.4272e-01 6249 1 1 1 1 216 ASP H 5.540 M 8.33 0.57 9.8437e-07 6249 1 1 1 1 216 ASP HA 4.310 . 4.61 0.31 3.3317e-01 6249 1 1 1 1 216 ASP N 122.220 . 120.73 4.2 7.2277e-01 6249 1 1 1 1 222 THR C 181.890 M 174.6 1.8 5.1218e-05 6249 1 1 1 1 222 THR CA 62.480 . 62.15 2.72 9.0344e-01 6249 1 1 1 1 222 THR H 4.790 M 8.27 0.62 1.9896e-08 6249 1 1 1 1 222 THR HA 4.170 . 4.48 0.5 5.3526e-01 6249 1 1 1 1 222 THR N 116.670 . 115.7 5.05 8.4768e-01 6249 1 1 1 1 223 VAL C 181.890 M 175.69 2.03 2.2567e-03 6249 1 1 1 1 223 VAL H 6.380 . 8.29 0.71 7.1422e-03 6249 1 1 1 1 223 VAL N 124.280 . 121.02 4.96 5.1102e-01 6249 1 1 1 1 226 TYR C 176.400 . 175.39 1.89 5.9307e-01 6249 1 1 1 1 226 TYR CA 59.920 . 58.02 2.64 4.7171e-01 6249 1 1 1 1 226 TYR CB 37.930 . 39.16 2.23 5.8124e-01 6249 1 1 1 1 226 TYR H 5.590 M 8.37 0.75 2.1001e-04 6249 1 1 1 1 226 TYR HA 4.360 . 4.63 0.56 6.2970e-01 6249 1 1 1 1 226 TYR N 123.840 . 120.79 4.69 5.1549e-01 6249 1 1 1 1 230 MET C 181.890 M 176.3 2.13 8.6798e-03 6249 1 1 1 1 230 MET CA 55.200 . 56.16 2.34 6.8162e-01 6249 1 1 1 1 230 MET H 6.370 . 8.26 0.6 1.6327e-03 6249 1 1 1 1 230 MET N 120.060 . 120.1 3.88 9.9177e-01 6249 1 1 1 1 234 LYS C 181.890 M 176.46 2.05 8.0783e-03 6249 1 1 1 1 234 LYS H 5.980 S 8.22 0.64 4.6526e-04 6249 1 1 1 1 234 LYS N 119.860 . 121.16 4.11 7.5177e-01 6249 1 1 1 1 235 TRP C 181.890 M 176.1 1.89 2.1877e-03 6249 1 1 1 1 236 LYS C 180.090 . 176.46 2.05 7.6605e-02 6249 1 1 1 1 236 LYS H 3.790 M 8.22 0.64 4.4570e-12 6249 1 1 1 1 236 LYS N 122.610 . 121.16 4.11 7.2424e-01 6249 1 1 1 1 241 MET C 179.670 . 176.3 2.13 1.1361e-01 6249 1 1 1 1 241 MET CA 58.770 . 56.16 2.34 2.6469e-01 6249 1 1 1 1 241 MET CB 32.290 . 32.9 2.23 7.8444e-01 6249 1 1 1 1 241 MET H 5.560 M 8.26 0.6 6.7953e-06 6249 1 1 1 1 241 MET HA 4.240 . 4.39 0.46 7.4436e-01 6249 1 1 1 1 241 MET N 123.640 . 120.1 3.88 3.6157e-01 6249 1 1 1 1 251 VAL C 181.890 M 175.69 2.03 2.2567e-03 6249 1 1 1 1 251 VAL CA 59.490 . 62.48 3.04 3.2534e-01 6249 1 1 1 1 251 VAL CB 31.940 . 32.66 1.91 7.0620e-01 6249 1 1 1 1 251 VAL H 6.020 . 8.29 0.71 1.3878e-03 6249 1 1 1 1 251 VAL HA 4.340 . 4.16 0.57 7.5216e-01 6249 1 1 1 1 251 VAL N 124.770 . 121.02 4.96 4.4962e-01 6249 1 1 1 1 255 LEU C 178.620 . 176.97 2.09 4.2984e-01 6249 1 1 1 1 255 LEU CA 57.610 . 55.65 2.21 3.7514e-01 6249 1 1 1 1 255 LEU CB 40.490 . 42.37 1.86 3.1213e-01 6249 1 1 1 1 255 LEU H 4.440 M 8.22 0.65 6.0495e-09 6249 1 1 1 1 255 LEU HA 4.050 . 4.32 0.47 5.6565e-01 6249 1 1 1 1 255 LEU N 122.660 . 121.98 4.07 8.6731e-01 6249 1 1 1 1 258 LEU C 179.330 . 176.97 2.09 2.5882e-01 6249 1 1 1 1 258 LEU CA 57.290 . 55.65 2.21 4.5804e-01 6249 1 1 1 1 258 LEU CB 40.550 . 42.37 1.86 3.2783e-01 6249 1 1 1 1 258 LEU H 4.720 M 8.22 0.65 7.2600e-08 6249 1 1 1 1 258 LEU HA 4.100 . 4.32 0.47 6.3972e-01 6249 1 1 1 1 258 LEU N 119.470 . 121.98 4.07 5.3743e-01 6249 1 1 1 1 264 GLU C 181.890 M 176.93 2.11 1.8738e-02 6249 1 1 1 1 264 GLU CA 59.720 . 57.42 2.19 2.9361e-01 6249 1 1 1 1 264 GLU H 6.720 . 8.34 0.61 7.9135e-03 6249 1 1 1 1 264 GLU HA 3.800 . 4.26 0.43 2.8472e-01 6249 1 1 1 1 264 GLU N 119.130 . 120.68 3.68 6.7361e-01 6249 1 1 1 1 266 ARG C 181.890 M 176.49 2.16 1.2419e-02 6249 1 1 1 1 266 ARG CA 60.390 . 56.95 2.41 1.5347e-01 6249 1 1 1 1 266 ARG H 6.140 S 8.24 0.6 4.6526e-04 6249 1 1 1 1 266 ARG HA 3.650 . 4.27 0.44 1.5881e-01 6249 1 1 1 1 266 ARG N 120.400 . 120.61 3.9 9.5706e-01 6249 1 1 1 1 272 LEU C 177.660 . 176.97 2.09 7.4129e-01 6249 1 1 1 1 272 LEU CA 56.800 . 55.65 2.21 6.0281e-01 6249 1 1 1 1 272 LEU CB 40.520 . 42.37 1.86 3.1992e-01 6249 1 1 1 1 272 LEU H 4.690 M 8.22 0.65 5.6112e-08 6249 1 1 1 1 272 LEU HA 3.810 . 4.32 0.47 2.7787e-01 6249 1 1 1 1 272 LEU N 118.640 . 121.98 4.07 4.1185e-01 6249 1 1 1 1 273 LEU C 181.890 . 176.97 2.09 1.8569e-02 6249 1 1 1 1 273 LEU CA 56.110 . 55.65 2.21 8.3512e-01 6249 1 1 1 1 273 LEU CB 41.920 . 42.37 1.86 8.0883e-01 6249 1 1 1 1 273 LEU H 3.730 M 8.22 0.65 4.9260e-12 6249 1 1 1 1 273 LEU HA 4.030 . 4.32 0.47 5.3722e-01 6249 1 1 1 1 273 LEU N 116.670 . 121.98 4.07 1.9201e-01 6249 1 1 1 1 274 TYR C 176.290 . 175.39 1.89 6.3394e-01 6249 1 1 1 1 274 TYR CA 57.060 . 58.02 2.64 7.1613e-01 6249 1 1 1 1 274 TYR CB 40.320 . 39.16 2.23 6.0294e-01 6249 1 1 1 1 274 TYR H 5.050 M 8.37 0.75 9.5700e-06 6249 1 1 1 1 274 TYR HA 4.840 . 4.63 0.56 7.0766e-01 6249 1 1 1 1 274 TYR N 112.650 . 120.79 4.69 8.2633e-02 6249 1 1 1 1 279 HIS C 181.890 M 175.19 2.14 1.7431e-03 6249 1 1 1 1 279 HIS CA 55.830 . 56.37 2.4 8.2198e-01 6249 1 1 1 1 279 HIS CB 29.430 . 29.95 2.15 8.0889e-01 6249 1 1 1 1 279 HIS H 6.130 . 8.25 0.74 4.1719e-03 6249 1 1 1 1 279 HIS HA 4.520 . 4.62 0.51 8.4455e-01 6249 1 1 1 1 279 HIS N 118.150 . 119.44 4.52 7.7534e-01 6249 1 1 1 1 290 SER C 181.890 M 174.53 1.73 2.0967e-05 6249 1 1 1 1 290 SER CA 58.410 . 58.57 2.12 9.3984e-01 6249 1 1 1 1 290 SER CB 63.260 . 63.8 1.57 7.3088e-01 6249 1 1 1 1 290 SER H 6.680 . 8.29 0.62 9.4104e-03 6249 1 1 1 1 290 SER HA 4.460 . 4.51 0.43 9.0743e-01 6249 1 1 1 1 290 SER N 115.690 . 116.3 3.95 8.7727e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score 6249 1 1 1 1 9 GLU LEU 0.17 6249 1 1 1 1 9 GLU CYS 0.14 6249 1 1 1 1 9 GLU ARG 0.14 6249 1 1 1 1 9 GLU HIS 0.13 6249 1 1 1 1 9 GLU GLN 0.13 6249 1 1 1 1 9 GLU LYS 0.12 6249 1 1 1 1 9 GLU TRP 0.07 6249 1 1 1 1 9 GLU GLU 0.04 6249 1 1 1 1 9 GLU MET 0.01 6249 1 1 1 1 14 ASN ASN 0.6 6249 1 1 1 1 14 ASN CYS 0.18 6249 1 1 1 1 14 ASN ASP 0.11 6249 1 1 1 1 14 ASN TYR 0.03 6249 1 1 1 1 14 ASN PHE 0.02 6249 1 1 1 1 14 ASN LEU 0.01 6249 1 1 1 1 19 THR THR 0.99 6249 1 1 1 1 39 VAL CYS 0.18 6249 1 1 1 1 39 VAL TRP 0.14 6249 1 1 1 1 39 VAL VAL 0.13 6249 1 1 1 1 39 VAL ARG 0.1 6249 1 1 1 1 39 VAL GLU 0.09 6249 1 1 1 1 39 VAL LYS 0.09 6249 1 1 1 1 39 VAL MET 0.07 6249 1 1 1 1 39 VAL HIS 0.06 6249 1 1 1 1 39 VAL ILE 0.04 6249 1 1 1 1 39 VAL GLN 0.03 6249 1 1 1 1 39 VAL PRO 0.01 6249 1 1 1 1 41 GLU GLN 0.15 6249 1 1 1 1 41 GLU LYS 0.14 6249 1 1 1 1 41 GLU HIS 0.14 6249 1 1 1 1 41 GLU TRP 0.12 6249 1 1 1 1 41 GLU GLU 0.12 6249 1 1 1 1 41 GLU CYS 0.11 6249 1 1 1 1 41 GLU ARG 0.1 6249 1 1 1 1 41 GLU MET 0.03 6249 1 1 1 1 41 GLU ILE 0.02 6249 1 1 1 1 41 GLU LEU 0.02 6249 1 1 1 1 59 THR THR 0.99 6249 1 1 1 1 62 VAL VAL 0.44 6249 1 1 1 1 62 VAL PRO 0.31 6249 1 1 1 1 62 VAL ILE 0.16 6249 1 1 1 1 62 VAL CYS 0.05 6249 1 1 1 1 62 VAL TRP 0.01 6249 1 1 1 1 74 PHE ILE 0.27 6249 1 1 1 1 74 PHE TYR 0.22 6249 1 1 1 1 74 PHE CYS 0.22 6249 1 1 1 1 74 PHE PHE 0.17 6249 1 1 1 1 74 PHE GLU 0.07 6249 1 1 1 1 80 LYS MET 0.15 6249 1 1 1 1 80 LYS CYS 0.15 6249 1 1 1 1 80 LYS LYS 0.14 6249 1 1 1 1 80 LYS ARG 0.12 6249 1 1 1 1 80 LYS TRP 0.11 6249 1 1 1 1 80 LYS HIS 0.1 6249 1 1 1 1 80 LYS GLU 0.09 6249 1 1 1 1 80 LYS GLN 0.05 6249 1 1 1 1 80 LYS VAL 0.02 6249 1 1 1 1 81 SER SER 0.99 6249 1 1 1 1 84 PRO THR 0.86 6249 1 1 1 1 84 PRO VAL 0.09 6249 1 1 1 1 84 PRO ILE 0.02 6249 1 1 1 1 88 LEU TYR 0.25 6249 1 1 1 1 88 LEU CYS 0.24 6249 1 1 1 1 88 LEU PHE 0.19 6249 1 1 1 1 88 LEU GLU 0.08 6249 1 1 1 1 88 LEU ILE 0.07 6249 1 1 1 1 88 LEU ASN 0.05 6249 1 1 1 1 88 LEU ASP 0.05 6249 1 1 1 1 88 LEU LEU 0.02 6249 1 1 1 1 88 LEU MET 0.01 6249 1 1 1 1 89 GLN TRP 0.15 6249 1 1 1 1 89 GLN CYS 0.13 6249 1 1 1 1 89 GLN GLU 0.12 6249 1 1 1 1 89 GLN ILE 0.12 6249 1 1 1 1 89 GLN LYS 0.11 6249 1 1 1 1 89 GLN GLN 0.09 6249 1 1 1 1 89 GLN HIS 0.09 6249 1 1 1 1 89 GLN ARG 0.09 6249 1 1 1 1 89 GLN VAL 0.02 6249 1 1 1 1 89 GLN MET 0.02 6249 1 1 1 1 99 THR THR 0.99 6249 1 1 1 1 107 SER SER 0.99 6249 1 1 1 1 116 LYS ARG 0.14 6249 1 1 1 1 116 LYS TRP 0.14 6249 1 1 1 1 116 LYS GLU 0.13 6249 1 1 1 1 116 LYS CYS 0.13 6249 1 1 1 1 116 LYS HIS 0.12 6249 1 1 1 1 116 LYS GLN 0.09 6249 1 1 1 1 116 LYS MET 0.09 6249 1 1 1 1 116 LYS LYS 0.08 6249 1 1 1 1 116 LYS VAL 0.02 6249 1 1 1 1 116 LYS ILE 0.01 6249 1 1 1 1 137 ASN CYS 0.27 6249 1 1 1 1 137 ASN GLU 0.18 6249 1 1 1 1 137 ASN TYR 0.17 6249 1 1 1 1 137 ASN ASN 0.11 6249 1 1 1 1 137 ASN PHE 0.1 6249 1 1 1 1 137 ASN MET 0.04 6249 1 1 1 1 137 ASN ASP 0.03 6249 1 1 1 1 137 ASN ILE 0.03 6249 1 1 1 1 137 ASN LYS 0.01 6249 1 1 1 1 141 LYS CYS 0.19 6249 1 1 1 1 141 LYS VAL 0.14 6249 1 1 1 1 141 LYS TRP 0.12 6249 1 1 1 1 141 LYS LYS 0.11 6249 1 1 1 1 141 LYS ARG 0.09 6249 1 1 1 1 141 LYS MET 0.09 6249 1 1 1 1 141 LYS GLU 0.08 6249 1 1 1 1 141 LYS HIS 0.06 6249 1 1 1 1 141 LYS GLN 0.03 6249 1 1 1 1 141 LYS ILE 0.02 6249 1 1 1 1 141 LYS PRO 0.01 6249 1 1 1 1 165 LEU PHE 0.22 6249 1 1 1 1 165 LEU TYR 0.19 6249 1 1 1 1 165 LEU CYS 0.15 6249 1 1 1 1 165 LEU LYS 0.11 6249 1 1 1 1 165 LEU LEU 0.11 6249 1 1 1 1 165 LEU ASP 0.09 6249 1 1 1 1 165 LEU ILE 0.05 6249 1 1 1 1 165 LEU ARG 0.01 6249 1 1 1 1 165 LEU ASN 0.01 6249 1 1 1 1 168 LYS TRP 0.17 6249 1 1 1 1 168 LYS GLU 0.15 6249 1 1 1 1 168 LYS CYS 0.14 6249 1 1 1 1 168 LYS ARG 0.13 6249 1 1 1 1 168 LYS HIS 0.1 6249 1 1 1 1 168 LYS GLN 0.09 6249 1 1 1 1 168 LYS ILE 0.06 6249 1 1 1 1 168 LYS LYS 0.04 6249 1 1 1 1 168 LYS MET 0.04 6249 1 1 1 1 168 LYS VAL 0.04 6249 1 1 1 1 170 SER SER 0.99 6249 1 1 1 1 174 LYS CYS 0.16 6249 1 1 1 1 174 LYS TRP 0.15 6249 1 1 1 1 174 LYS ARG 0.12 6249 1 1 1 1 174 LYS GLU 0.11 6249 1 1 1 1 174 LYS VAL 0.09 6249 1 1 1 1 174 LYS HIS 0.08 6249 1 1 1 1 174 LYS LYS 0.08 6249 1 1 1 1 174 LYS MET 0.07 6249 1 1 1 1 174 LYS GLN 0.05 6249 1 1 1 1 174 LYS ILE 0.04 6249 1 1 1 1 174 LYS PRO 0.01 6249 1 1 1 1 184 LYS MET 0.14 6249 1 1 1 1 184 LYS ARG 0.14 6249 1 1 1 1 184 LYS CYS 0.13 6249 1 1 1 1 184 LYS HIS 0.13 6249 1 1 1 1 184 LYS TRP 0.11 6249 1 1 1 1 184 LYS LYS 0.1 6249 1 1 1 1 184 LYS GLU 0.1 6249 1 1 1 1 184 LYS GLN 0.08 6249 1 1 1 1 184 LYS VAL 0.01 6249 1 1 1 1 199 GLU TRP 0.14 6249 1 1 1 1 199 GLU CYS 0.13 6249 1 1 1 1 199 GLU LYS 0.13 6249 1 1 1 1 199 GLU GLU 0.12 6249 1 1 1 1 199 GLU GLN 0.11 6249 1 1 1 1 199 GLU ILE 0.1 6249 1 1 1 1 199 GLU HIS 0.1 6249 1 1 1 1 199 GLU ARG 0.09 6249 1 1 1 1 199 GLU MET 0.01 6249 1 1 1 1 199 GLU LEU 0.01 6249 1 1 1 1 199 GLU VAL 0.01 6249 1 1 1 1 202 LYS CYS 0.16 6249 1 1 1 1 202 LYS TRP 0.15 6249 1 1 1 1 202 LYS ARG 0.12 6249 1 1 1 1 202 LYS GLU 0.11 6249 1 1 1 1 202 LYS VAL 0.09 6249 1 1 1 1 202 LYS HIS 0.08 6249 1 1 1 1 202 LYS LYS 0.07 6249 1 1 1 1 202 LYS MET 0.06 6249 1 1 1 1 202 LYS GLN 0.05 6249 1 1 1 1 202 LYS ILE 0.05 6249 1 1 1 1 202 LYS PRO 0.01 6249 1 1 1 1 207 LEU LEU 0.21 6249 1 1 1 1 207 LEU LYS 0.18 6249 1 1 1 1 207 LEU ASP 0.18 6249 1 1 1 1 207 LEU CYS 0.1 6249 1 1 1 1 207 LEU PHE 0.09 6249 1 1 1 1 207 LEU ARG 0.08 6249 1 1 1 1 207 LEU TYR 0.07 6249 1 1 1 1 207 LEU ASN 0.03 6249 1 1 1 1 208 THR THR 0.99 6249 1 1 1 1 212 LEU LEU 0.29 6249 1 1 1 1 212 LEU ASP 0.2 6249 1 1 1 1 212 LEU ARG 0.15 6249 1 1 1 1 212 LEU CYS 0.12 6249 1 1 1 1 212 LEU GLY 0.07 6249 1 1 1 1 212 LEU LYS 0.06 6249 1 1 1 1 212 LEU ASN 0.03 6249 1 1 1 1 212 LEU PHE 0.03 6249 1 1 1 1 212 LEU TYR 0.02 6249 1 1 1 1 216 ASP PHE 0.19 6249 1 1 1 1 216 ASP TYR 0.16 6249 1 1 1 1 216 ASP LYS 0.14 6249 1 1 1 1 216 ASP CYS 0.14 6249 1 1 1 1 216 ASP LEU 0.13 6249 1 1 1 1 216 ASP ASP 0.11 6249 1 1 1 1 216 ASP ILE 0.03 6249 1 1 1 1 216 ASP ARG 0.02 6249 1 1 1 1 216 ASP ASN 0.01 6249 1 1 1 1 222 THR VAL 0.23 6249 1 1 1 1 222 THR THR 0.21 6249 1 1 1 1 222 THR ILE 0.17 6249 1 1 1 1 222 THR PRO 0.14 6249 1 1 1 1 222 THR SER 0.09 6249 1 1 1 1 222 THR CYS 0.03 6249 1 1 1 1 222 THR PHE 0.02 6249 1 1 1 1 222 THR TYR 0.02 6249 1 1 1 1 222 THR TRP 0.01 6249 1 1 1 1 226 TYR ILE 0.27 6249 1 1 1 1 226 TYR TYR 0.22 6249 1 1 1 1 226 TYR CYS 0.22 6249 1 1 1 1 226 TYR PHE 0.17 6249 1 1 1 1 226 TYR GLU 0.07 6249 1 1 1 1 230 MET LEU 0.12 6249 1 1 1 1 230 MET ASP 0.1 6249 1 1 1 1 230 MET MET 0.09 6249 1 1 1 1 230 MET HIS 0.09 6249 1 1 1 1 230 MET GLN 0.07 6249 1 1 1 1 230 MET CYS 0.07 6249 1 1 1 1 230 MET ARG 0.06 6249 1 1 1 1 230 MET LYS 0.06 6249 1 1 1 1 230 MET ASN 0.05 6249 1 1 1 1 230 MET TRP 0.04 6249 1 1 1 1 230 MET ALA 0.04 6249 1 1 1 1 230 MET GLU 0.04 6249 1 1 1 1 230 MET TYR 0.04 6249 1 1 1 1 230 MET PHE 0.03 6249 1 1 1 1 230 MET SER 0.01 6249 1 1 1 1 241 MET CYS 0.18 6249 1 1 1 1 241 MET LYS 0.14 6249 1 1 1 1 241 MET TRP 0.12 6249 1 1 1 1 241 MET MET 0.1 6249 1 1 1 1 241 MET ARG 0.1 6249 1 1 1 1 241 MET VAL 0.09 6249 1 1 1 1 241 MET GLU 0.08 6249 1 1 1 1 241 MET HIS 0.07 6249 1 1 1 1 241 MET GLN 0.05 6249 1 1 1 1 241 MET ILE 0.01 6249 1 1 1 1 251 VAL CYS 0.18 6249 1 1 1 1 251 VAL VAL 0.13 6249 1 1 1 1 251 VAL TRP 0.13 6249 1 1 1 1 251 VAL LYS 0.1 6249 1 1 1 1 251 VAL ARG 0.1 6249 1 1 1 1 251 VAL GLU 0.09 6249 1 1 1 1 251 VAL MET 0.08 6249 1 1 1 1 251 VAL HIS 0.06 6249 1 1 1 1 251 VAL GLN 0.03 6249 1 1 1 1 251 VAL ILE 0.03 6249 1 1 1 1 251 VAL PRO 0.01 6249 1 1 1 1 255 LEU PHE 0.23 6249 1 1 1 1 255 LEU TYR 0.21 6249 1 1 1 1 255 LEU CYS 0.16 6249 1 1 1 1 255 LEU LEU 0.1 6249 1 1 1 1 255 LEU LYS 0.1 6249 1 1 1 1 255 LEU ASP 0.08 6249 1 1 1 1 255 LEU ILE 0.06 6249 1 1 1 1 255 LEU ASN 0.01 6249 1 1 1 1 255 LEU ARG 0.01 6249 1 1 1 1 258 LEU PHE 0.22 6249 1 1 1 1 258 LEU TYR 0.19 6249 1 1 1 1 258 LEU CYS 0.15 6249 1 1 1 1 258 LEU LEU 0.11 6249 1 1 1 1 258 LEU LYS 0.11 6249 1 1 1 1 258 LEU ASP 0.1 6249 1 1 1 1 258 LEU ILE 0.04 6249 1 1 1 1 258 LEU ASN 0.01 6249 1 1 1 1 258 LEU ARG 0.01 6249 1 1 1 1 264 GLU PHE 0.11 6249 1 1 1 1 264 GLU SER 0.11 6249 1 1 1 1 264 GLU TYR 0.1 6249 1 1 1 1 264 GLU CYS 0.09 6249 1 1 1 1 264 GLU ILE 0.09 6249 1 1 1 1 264 GLU TRP 0.08 6249 1 1 1 1 264 GLU THR 0.07 6249 1 1 1 1 264 GLU VAL 0.07 6249 1 1 1 1 264 GLU GLU 0.05 6249 1 1 1 1 264 GLU ARG 0.04 6249 1 1 1 1 264 GLU LYS 0.03 6249 1 1 1 1 264 GLU HIS 0.03 6249 1 1 1 1 264 GLU GLN 0.03 6249 1 1 1 1 264 GLU MET 0.02 6249 1 1 1 1 264 GLU LEU 0.01 6249 1 1 1 1 266 ARG ILE 0.15 6249 1 1 1 1 266 ARG THR 0.11 6249 1 1 1 1 266 ARG VAL 0.11 6249 1 1 1 1 266 ARG PHE 0.09 6249 1 1 1 1 266 ARG SER 0.08 6249 1 1 1 1 266 ARG CYS 0.08 6249 1 1 1 1 266 ARG TYR 0.08 6249 1 1 1 1 266 ARG TRP 0.07 6249 1 1 1 1 266 ARG GLU 0.04 6249 1 1 1 1 266 ARG ARG 0.03 6249 1 1 1 1 266 ARG LYS 0.02 6249 1 1 1 1 266 ARG HIS 0.02 6249 1 1 1 1 266 ARG GLN 0.01 6249 1 1 1 1 266 ARG PRO 0.01 6249 1 1 1 1 266 ARG MET 0.01 6249 1 1 1 1 272 LEU PHE 0.2 6249 1 1 1 1 272 LEU TYR 0.18 6249 1 1 1 1 272 LEU CYS 0.15 6249 1 1 1 1 272 LEU ASP 0.13 6249 1 1 1 1 272 LEU LEU 0.13 6249 1 1 1 1 272 LEU LYS 0.1 6249 1 1 1 1 272 LEU ILE 0.03 6249 1 1 1 1 272 LEU ASN 0.03 6249 1 1 1 1 272 LEU ARG 0.01 6249 1 1 1 1 273 LEU LEU 0.21 6249 1 1 1 1 273 LEU LYS 0.21 6249 1 1 1 1 273 LEU ASP 0.13 6249 1 1 1 1 273 LEU ARG 0.11 6249 1 1 1 1 273 LEU CYS 0.1 6249 1 1 1 1 273 LEU PHE 0.1 6249 1 1 1 1 273 LEU TYR 0.08 6249 1 1 1 1 273 LEU ASN 0.01 6249 1 1 1 1 274 TYR PHE 0.22 6249 1 1 1 1 274 TYR TYR 0.2 6249 1 1 1 1 274 TYR CYS 0.16 6249 1 1 1 1 274 TYR ASP 0.11 6249 1 1 1 1 274 TYR LEU 0.11 6249 1 1 1 1 274 TYR LYS 0.08 6249 1 1 1 1 274 TYR ILE 0.04 6249 1 1 1 1 274 TYR ASN 0.02 6249 1 1 1 1 274 TYR ARG 0.01 6249 1 1 1 1 279 HIS HIS 0.15 6249 1 1 1 1 279 HIS GLN 0.15 6249 1 1 1 1 279 HIS LYS 0.13 6249 1 1 1 1 279 HIS TRP 0.12 6249 1 1 1 1 279 HIS GLU 0.11 6249 1 1 1 1 279 HIS ARG 0.11 6249 1 1 1 1 279 HIS CYS 0.11 6249 1 1 1 1 279 HIS MET 0.04 6249 1 1 1 1 279 HIS LEU 0.01 6249 1 1 1 1 279 HIS ILE 0.01 6249 1 1 1 1 290 SER SER 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6249 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6249 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6249 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6249 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6249 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_