data_AVS_bmrb_pdb_report_6730 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6730 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 5 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 6 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 7 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 8 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 10 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 11 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 12 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 15 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6730 1 1 1 1 16 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 17 LEU Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6730 1 1 1 1 18 THR Anomalous Consistent Consistent Consistent Anomalous Suspicious . . 6730 1 1 1 1 20 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 21 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 22 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 23 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 25 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6730 1 1 1 1 26 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 27 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 29 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 30 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 31 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 32 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 34 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 35 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 36 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 37 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 38 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 39 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 40 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 41 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 43 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 44 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 45 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 47 PRO Anomalous Consistent Consistent Suspicious Anomalous Indeterminable . . 6730 1 1 1 1 48 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 51 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 52 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 53 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 54 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 55 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 60 GLY Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6730 1 1 1 1 61 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 62 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 63 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 64 VAL Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6730 1 1 1 1 65 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 68 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6730 1 1 1 1 69 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 71 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6730 1 1 1 1 72 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 73 ASP Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6730 1 1 1 1 75 SER Anomalous Consistent Consistent Anomalous Anomalous Consistent . . 6730 1 1 1 1 76 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 77 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 81 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 82 GLU Anomalous Consistent Consistent Consistent Anomalous Suspicious . . 6730 1 1 1 1 83 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 86 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6730 1 1 1 1 87 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 89 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6730 1 1 1 1 91 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 92 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 93 ARG Anomalous Suspicious Consistent Consistent Anomalous Anomalous . . 6730 1 1 1 1 94 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 95 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 96 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 1 1 1 97 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6730 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 5 VAL C 131.870 A 175.62 1.9 0.0000e+00 6730 1 1 1 1 5 VAL CA 61.614 . 62.49 2.86 7.5938e-01 6730 1 1 1 1 5 VAL CB 32.284 . 32.73 1.79 8.0324e-01 6730 1 1 1 1 5 VAL CG1 20.206 . 21.49 1.36 3.4511e-01 6730 1 1 1 1 5 VAL H 8.311 . 8.29 0.67 9.7500e-01 6730 1 1 1 1 5 VAL HA 4.257 . 4.19 0.58 9.0804e-01 6730 1 1 1 1 5 VAL HB 2.134 . 1.98 0.32 6.3034e-01 6730 1 1 1 1 5 VAL HG11 0.981 . 0.83 0.26 5.6140e-01 6730 1 1 1 1 5 VAL HG12 0.981 . 0.83 0.26 5.6140e-01 6730 1 1 1 1 5 VAL HG13 0.981 . 0.83 0.26 5.6140e-01 6730 1 1 1 1 5 VAL HG21 0.981 . 0.8 0.28 5.1800e-01 6730 1 1 1 1 5 VAL HG22 0.981 . 0.8 0.28 5.1800e-01 6730 1 1 1 1 5 VAL HG23 0.981 . 0.8 0.28 5.1800e-01 6730 1 1 1 1 5 VAL N 122.148 . 121.14 4.54 8.2429e-01 6730 1 1 1 1 6 ASN C 131.106 A 175.27 1.79 0.0000e+00 6730 1 1 1 1 6 ASN CA 52.681 . 53.54 1.88 6.4773e-01 6730 1 1 1 1 6 ASN CB 38.714 . 38.69 1.69 9.8867e-01 6730 1 1 1 1 6 ASN H 8.717 . 8.34 0.63 5.4956e-01 6730 1 1 1 1 6 ASN HA 4.274 . 4.67 0.36 2.7133e-01 6730 1 1 1 1 6 ASN HB2 2.969 . 2.81 0.31 6.0802e-01 6730 1 1 1 1 6 ASN N 122.819 . 118.93 4.03 3.3454e-01 6730 1 1 1 1 7 CYS C 130.844 A 174.95 2.07 0.0000e+00 6730 1 1 1 1 7 CYS CA 57.956 . 58.3 3.33 9.1772e-01 6730 1 1 1 1 7 CYS CB 27.587 . 32.49 6.01 4.1461e-01 6730 1 1 1 1 7 CYS H 8.533 . 8.39 0.67 8.3099e-01 6730 1 1 1 1 7 CYS HA 4.613 . 4.66 0.55 9.3190e-01 6730 1 1 1 1 7 CYS HB2 3.015 . 2.96 0.44 9.0052e-01 6730 1 1 1 1 7 CYS N 119.854 . 120.17 4.64 9.4570e-01 6730 1 1 1 1 8 GLY C 129.430 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 8 GLY CA 44.695 . 45.35 1.34 6.2498e-01 6730 1 1 1 1 8 GLY H 8.487 . 8.33 0.65 8.0914e-01 6730 1 1 1 1 8 GLY HA2 3.970 . 3.97 0.37 1.0000e+00 6730 1 1 1 1 8 GLY N 110.803 . 109.67 3.87 7.6970e-01 6730 1 1 1 1 10 VAL C 131.529 A 175.62 1.9 0.0000e+00 6730 1 1 1 1 10 VAL CA 62.072 . 62.49 2.86 8.8380e-01 6730 1 1 1 1 10 VAL CB 32.121 . 32.73 1.79 7.3369e-01 6730 1 1 1 1 10 VAL CG1 21.316 . 21.49 1.36 8.9820e-01 6730 1 1 1 1 10 VAL CG2 21.884 . 21.26 1.56 6.8916e-01 6730 1 1 1 1 10 VAL H 8.176 . 8.29 0.67 8.6489e-01 6730 1 1 1 1 10 VAL HA 4.332 . 4.19 0.58 8.0659e-01 6730 1 1 1 1 10 VAL HB 1.801 . 1.98 0.32 5.7591e-01 6730 1 1 1 1 10 VAL HG11 0.750 . 0.83 0.26 7.5832e-01 6730 1 1 1 1 10 VAL HG12 0.750 . 0.83 0.26 7.5832e-01 6730 1 1 1 1 10 VAL HG13 0.750 . 0.83 0.26 7.5832e-01 6730 1 1 1 1 10 VAL HG21 0.358 . 0.8 0.28 1.1443e-01 6730 1 1 1 1 10 VAL HG22 0.358 . 0.8 0.28 1.1443e-01 6730 1 1 1 1 10 VAL HG23 0.358 . 0.8 0.28 1.1443e-01 6730 1 1 1 1 10 VAL N 123.897 . 121.14 4.54 5.4367e-01 6730 1 1 1 1 11 THR C 128.373 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 11 THR CA 58.858 . 62.22 2.59 1.9426e-01 6730 1 1 1 1 11 THR CB 72.158 . 69.73 1.63 1.3634e-01 6730 1 1 1 1 11 THR CG2 21.881 . 21.55 1.11 7.6555e-01 6730 1 1 1 1 11 THR H 7.963 . 8.24 0.62 6.5504e-01 6730 1 1 1 1 11 THR HA 5.040 . 4.46 0.48 2.2692e-01 6730 1 1 1 1 11 THR HB 4.390 . 4.17 0.33 5.0499e-01 6730 1 1 1 1 11 THR HG21 1.284 . 1.14 0.23 5.3126e-01 6730 1 1 1 1 11 THR HG22 1.284 . 1.14 0.23 5.3126e-01 6730 1 1 1 1 11 THR HG23 1.284 . 1.14 0.23 5.3126e-01 6730 1 1 1 1 11 THR N 116.102 . 115.42 4.75 8.8583e-01 6730 1 1 1 1 12 ALA C 131.425 A 177.74 2.13 0.0000e+00 6730 1 1 1 1 12 ALA CA 49.690 . 53.14 1.98 8.1434e-02 6730 1 1 1 1 12 ALA CB 22.048 . 19.01 1.83 9.6892e-02 6730 1 1 1 1 12 ALA H 8.972 . 8.2 0.6 1.9821e-01 6730 1 1 1 1 12 ALA HA 5.659 . 4.26 0.44 1.4751e-03 6730 1 1 1 1 12 ALA HB1 1.289 . 1.35 0.26 8.1451e-01 6730 1 1 1 1 12 ALA HB2 1.289 . 1.35 0.26 8.1451e-01 6730 1 1 1 1 12 ALA HB3 1.289 . 1.35 0.26 8.1451e-01 6730 1 1 1 1 12 ALA N 123.693 . 123.23 3.54 8.9594e-01 6730 1 1 1 1 15 PRO C 134.629 A 176.75 1.51 0.0000e+00 6730 1 1 1 1 15 PRO CA 64.909 . 63.33 1.52 2.9889e-01 6730 1 1 1 1 15 PRO CB 30.973 . 31.85 1.18 4.5735e-01 6730 1 1 1 1 15 PRO CG 26.764 . 27.17 1.09 7.0954e-01 6730 1 1 1 1 15 PRO CD 49.440 . 50.32 0.99 3.7406e-01 6730 1 1 1 1 15 PRO HA 4.486 . 4.4 0.33 7.9440e-01 6730 1 1 1 1 15 PRO HB2 2.478 . 2.08 0.35 2.5548e-01 6730 1 1 1 1 15 PRO HB3 2.251 . 2 0.36 4.8566e-01 6730 1 1 1 1 15 PRO HG2 2.474 . 1.93 0.31 7.9287e-02 6730 1 1 1 1 15 PRO HG3 2.211 . 1.9 0.33 3.4598e-01 6730 1 1 1 1 15 PRO HD2 3.933 . 3.65 0.35 4.1876e-01 6730 1 1 1 1 15 PRO HD3 3.709 . 3.61 0.39 7.9961e-01 6730 1 1 1 1 16 GLY C 128.969 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 16 GLY CA 45.370 . 45.35 1.34 9.8809e-01 6730 1 1 1 1 16 GLY H 9.116 . 8.33 0.65 2.2657e-01 6730 1 1 1 1 16 GLY HA2 4.616 . 3.97 0.37 8.0820e-02 6730 1 1 1 1 16 GLY HA3 3.436 . 3.9 0.37 2.0982e-01 6730 1 1 1 1 16 GLY N 103.717 . 109.67 3.87 1.2399e-01 6730 1 1 1 1 17 LEU C 132.276 A 176.99 1.98 0.0000e+00 6730 1 1 1 1 17 LEU CA 55.032 . 55.62 2.13 7.8250e-01 6730 1 1 1 1 17 LEU CB 40.658 . 42.31 1.88 3.7955e-01 6730 1 1 1 1 17 LEU CG 25.372 . 26.78 1.1 2.0054e-01 6730 1 1 1 1 17 LEU CD1 22.976 . 24.72 1.59 2.7270e-01 6730 1 1 1 1 17 LEU CD2 18.469 . 24.05 1.7 1.0273e-03 6730 1 1 1 1 17 LEU H 7.130 . 8.23 0.65 9.0587e-02 6730 1 1 1 1 17 LEU HA 3.856 . 4.32 0.47 3.2353e-01 6730 1 1 1 1 17 LEU HB2 1.478 . 1.61 0.34 6.9784e-01 6730 1 1 1 1 17 LEU HB3 0.991 . 1.52 0.36 1.4171e-01 6730 1 1 1 1 17 LEU HG 0.584 . 1.51 0.33 5.0151e-03 6730 1 1 1 1 17 LEU HD11 -0.097 . 0.75 0.28 2.4863e-03 6730 1 1 1 1 17 LEU HD12 -0.097 . 0.75 0.28 2.4863e-03 6730 1 1 1 1 17 LEU HD13 -0.097 . 0.75 0.28 2.4863e-03 6730 1 1 1 1 17 LEU HD21 -1.088 S 0.73 0.29 3.6345e-10 6730 1 1 1 1 17 LEU HD22 -1.088 S 0.73 0.29 3.6345e-10 6730 1 1 1 1 17 LEU HD23 -1.088 S 0.73 0.29 3.6345e-10 6730 1 1 1 1 17 LEU N 116.196 . 121.86 3.9 1.4642e-01 6730 1 1 1 1 18 THR C 132.591 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 18 THR CA 61.362 . 62.22 2.59 7.4044e-01 6730 1 1 1 1 18 THR CB 71.230 . 69.73 1.63 3.5744e-01 6730 1 1 1 1 18 THR CG2 21.596 . 21.55 1.11 9.6694e-01 6730 1 1 1 1 18 THR H 7.646 . 8.24 0.62 3.3803e-01 6730 1 1 1 1 18 THR HA 5.073 . 4.46 0.48 2.0157e-01 6730 1 1 1 1 18 THR HB 4.386 . 4.17 0.33 5.1276e-01 6730 1 1 1 1 18 THR HG21 1.360 . 1.14 0.23 3.3881e-01 6730 1 1 1 1 18 THR HG22 1.360 . 1.14 0.23 3.3881e-01 6730 1 1 1 1 18 THR HG23 1.360 . 1.14 0.23 3.3881e-01 6730 1 1 1 1 18 THR N 132.874 S 115.42 4.75 2.3829e-04 6730 1 1 1 1 20 GLY C 126.478 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 20 GLY CA 43.939 . 45.35 1.34 2.9235e-01 6730 1 1 1 1 20 GLY H 7.888 . 8.33 0.65 4.9650e-01 6730 1 1 1 1 20 GLY HA2 4.299 . 3.97 0.37 3.7390e-01 6730 1 1 1 1 20 GLY HA3 3.696 . 3.9 0.37 5.8139e-01 6730 1 1 1 1 20 GLY N 106.748 . 109.67 3.87 4.5023e-01 6730 1 1 1 1 21 VAL C 130.751 A 175.62 1.9 0.0000e+00 6730 1 1 1 1 21 VAL CA 60.004 . 62.49 2.86 3.8472e-01 6730 1 1 1 1 21 VAL CB 34.820 . 32.73 1.79 2.4297e-01 6730 1 1 1 1 21 VAL CG1 20.475 . 21.49 1.36 4.5547e-01 6730 1 1 1 1 21 VAL H 9.485 . 8.29 0.67 7.4492e-02 6730 1 1 1 1 21 VAL HA 4.848 . 4.19 0.58 2.5659e-01 6730 1 1 1 1 21 VAL HB 1.719 . 1.98 0.32 4.1471e-01 6730 1 1 1 1 21 VAL HG11 0.952 . 0.83 0.26 6.3890e-01 6730 1 1 1 1 21 VAL HG12 0.952 . 0.83 0.26 6.3890e-01 6730 1 1 1 1 21 VAL HG13 0.952 . 0.83 0.26 6.3890e-01 6730 1 1 1 1 21 VAL HG21 1.380 . 0.8 0.28 3.8319e-02 6730 1 1 1 1 21 VAL HG22 1.380 . 0.8 0.28 3.8319e-02 6730 1 1 1 1 21 VAL HG23 1.380 . 0.8 0.28 3.8319e-02 6730 1 1 1 1 21 VAL N 122.561 . 121.14 4.54 7.5428e-01 6730 1 1 1 1 22 VAL C 131.077 A 175.62 1.9 0.0000e+00 6730 1 1 1 1 22 VAL CA 63.014 . 62.49 2.86 8.5463e-01 6730 1 1 1 1 22 VAL CB 31.500 . 32.73 1.79 4.9199e-01 6730 1 1 1 1 22 VAL CG1 20.652 . 21.49 1.36 5.3778e-01 6730 1 1 1 1 22 VAL CG2 21.420 . 21.26 1.56 9.1831e-01 6730 1 1 1 1 22 VAL H 7.909 . 8.29 0.67 5.6959e-01 6730 1 1 1 1 22 VAL HA 3.388 . 4.19 0.58 1.6674e-01 6730 1 1 1 1 22 VAL HB 1.842 . 1.98 0.32 6.6629e-01 6730 1 1 1 1 22 VAL HG11 0.822 . 0.83 0.26 9.7545e-01 6730 1 1 1 1 22 VAL HG12 0.822 . 0.83 0.26 9.7545e-01 6730 1 1 1 1 22 VAL HG13 0.822 . 0.83 0.26 9.7545e-01 6730 1 1 1 1 22 VAL HG21 0.910 . 0.8 0.28 6.9442e-01 6730 1 1 1 1 22 VAL HG22 0.910 . 0.8 0.28 6.9442e-01 6730 1 1 1 1 22 VAL HG23 0.910 . 0.8 0.28 6.9442e-01 6730 1 1 1 1 22 VAL N 121.658 . 121.14 4.54 9.0916e-01 6730 1 1 1 1 23 ASN C 129.584 A 175.27 1.79 0.0000e+00 6730 1 1 1 1 23 ASN CA 54.629 . 53.54 1.88 5.6242e-01 6730 1 1 1 1 23 ASN CB 36.584 . 38.69 1.69 2.1271e-01 6730 1 1 1 1 23 ASN H 8.950 . 8.34 0.63 3.3292e-01 6730 1 1 1 1 23 ASN HA 4.115 . 4.67 0.36 1.2315e-01 6730 1 1 1 1 23 ASN HB2 3.097 . 2.81 0.31 3.5455e-01 6730 1 1 1 1 23 ASN HB3 3.069 . 2.75 0.33 3.3371e-01 6730 1 1 1 1 23 ASN HD21 7.705 . 7.35 0.48 4.5955e-01 6730 1 1 1 1 23 ASN HD22 6.868 . 7.14 0.49 5.7882e-01 6730 1 1 1 1 23 ASN N 114.382 . 118.93 4.03 2.5909e-01 6730 1 1 1 1 23 ASN ND2 113.558 . 112.75 2.23 7.1710e-01 6730 1 1 1 1 25 PRO C 132.088 A 176.75 1.51 0.0000e+00 6730 1 1 1 1 25 PRO CA 62.382 . 63.33 1.52 5.3284e-01 6730 1 1 1 1 25 PRO CB 30.844 . 31.85 1.18 3.9391e-01 6730 1 1 1 1 25 PRO CG 27.063 . 27.17 1.09 9.2180e-01 6730 1 1 1 1 25 PRO CD 49.465 . 50.32 0.99 3.8779e-01 6730 1 1 1 1 25 PRO HA 4.396 . 4.4 0.33 9.9033e-01 6730 1 1 1 1 25 PRO HB2 2.037 . 2.08 0.35 9.0222e-01 6730 1 1 1 1 25 PRO HB3 1.675 . 2 0.36 3.6664e-01 6730 1 1 1 1 25 PRO HG2 2.076 . 1.93 0.31 6.3766e-01 6730 1 1 1 1 25 PRO HG3 1.898 . 1.9 0.33 9.9516e-01 6730 1 1 1 1 25 PRO HD2 3.701 . 3.65 0.35 8.8415e-01 6730 1 1 1 1 25 PRO HD3 3.600 . 3.61 0.39 9.7954e-01 6730 1 1 1 1 26 ALA C 133.014 A 177.74 2.13 0.0000e+00 6730 1 1 1 1 26 ALA CA 49.919 . 53.14 1.98 1.0379e-01 6730 1 1 1 1 26 ALA CB 18.643 . 19.01 1.83 8.4105e-01 6730 1 1 1 1 26 ALA H 8.945 . 8.2 0.6 2.1436e-01 6730 1 1 1 1 26 ALA HA 4.780 . 4.26 0.44 2.3728e-01 6730 1 1 1 1 26 ALA HB1 0.680 . 1.35 0.26 9.9684e-03 6730 1 1 1 1 26 ALA HB2 0.680 . 1.35 0.26 9.9684e-03 6730 1 1 1 1 26 ALA HB3 0.680 . 1.35 0.26 9.9684e-03 6730 1 1 1 1 26 ALA N 131.649 . 123.23 3.54 1.7395e-02 6730 1 1 1 1 27 THR C 130.380 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 27 THR CA 59.449 . 62.22 2.59 2.8467e-01 6730 1 1 1 1 27 THR CB 71.523 . 69.73 1.63 2.7133e-01 6730 1 1 1 1 27 THR CG2 20.134 . 21.55 1.11 2.0207e-01 6730 1 1 1 1 27 THR H 8.338 . 8.24 0.62 8.7441e-01 6730 1 1 1 1 27 THR HA 5.683 . 4.46 0.48 1.0837e-02 6730 1 1 1 1 27 THR HB 4.199 . 4.17 0.33 9.2997e-01 6730 1 1 1 1 27 THR HG21 1.077 . 1.14 0.23 7.8415e-01 6730 1 1 1 1 27 THR HG22 1.077 . 1.14 0.23 7.8415e-01 6730 1 1 1 1 27 THR HG23 1.077 . 1.14 0.23 7.8415e-01 6730 1 1 1 1 27 THR N 111.390 . 115.42 4.75 3.9620e-01 6730 1 1 1 1 29 THR C 128.938 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 29 THR CA 61.169 . 62.22 2.59 6.8490e-01 6730 1 1 1 1 29 THR CB 70.778 . 69.73 1.63 5.2026e-01 6730 1 1 1 1 29 THR CG2 21.268 . 21.55 1.11 7.9945e-01 6730 1 1 1 1 29 THR H 9.337 . 8.24 0.62 7.6835e-02 6730 1 1 1 1 29 THR HA 5.120 . 4.46 0.48 1.6913e-01 6730 1 1 1 1 29 THR HB 3.189 . 4.17 0.33 2.9517e-03 6730 1 1 1 1 29 THR HG21 1.148 . 1.14 0.23 9.7225e-01 6730 1 1 1 1 29 THR HG22 1.148 . 1.14 0.23 9.7225e-01 6730 1 1 1 1 29 THR HG23 1.148 . 1.14 0.23 9.7225e-01 6730 1 1 1 1 29 THR N 118.228 . 115.42 4.75 5.5441e-01 6730 1 1 1 1 30 VAL C 130.506 A 175.62 1.9 0.0000e+00 6730 1 1 1 1 30 VAL CA 60.273 . 62.49 2.86 4.3824e-01 6730 1 1 1 1 30 VAL CB 33.420 . 32.73 1.79 6.9989e-01 6730 1 1 1 1 30 VAL CG1 21.281 . 21.49 1.36 8.7787e-01 6730 1 1 1 1 30 VAL CG2 21.480 . 21.26 1.56 8.8785e-01 6730 1 1 1 1 30 VAL H 8.903 . 8.29 0.67 3.6023e-01 6730 1 1 1 1 30 VAL HA 4.860 . 4.19 0.58 2.4802e-01 6730 1 1 1 1 30 VAL HB 1.919 . 1.98 0.32 8.4882e-01 6730 1 1 1 1 30 VAL HG11 1.037 . 0.83 0.26 4.2594e-01 6730 1 1 1 1 30 VAL HG12 1.037 . 0.83 0.26 4.2594e-01 6730 1 1 1 1 30 VAL HG13 1.037 . 0.83 0.26 4.2594e-01 6730 1 1 1 1 30 VAL HG21 0.912 . 0.8 0.28 6.8916e-01 6730 1 1 1 1 30 VAL HG22 0.912 . 0.8 0.28 6.8916e-01 6730 1 1 1 1 30 VAL HG23 0.912 . 0.8 0.28 6.8916e-01 6730 1 1 1 1 30 VAL N 123.441 . 121.14 4.54 6.1228e-01 6730 1 1 1 1 31 ASN C 131.295 A 175.27 1.79 0.0000e+00 6730 1 1 1 1 31 ASN CA 51.830 . 53.54 1.88 3.6305e-01 6730 1 1 1 1 31 ASN CB 39.031 . 38.69 1.69 8.4009e-01 6730 1 1 1 1 31 ASN H 9.494 . 8.34 0.63 6.6989e-02 6730 1 1 1 1 31 ASN HA 5.232 . 4.67 0.36 1.1850e-01 6730 1 1 1 1 31 ASN HB2 3.557 . 2.81 0.31 1.5967e-02 6730 1 1 1 1 31 ASN HB3 2.833 . 2.75 0.33 8.0142e-01 6730 1 1 1 1 31 ASN HD21 7.459 . 7.35 0.48 8.2036e-01 6730 1 1 1 1 31 ASN HD22 6.870 . 7.14 0.49 5.8162e-01 6730 1 1 1 1 31 ASN N 127.472 . 118.93 4.03 3.4040e-02 6730 1 1 1 1 31 ASN ND2 111.251 . 112.75 2.23 5.0146e-01 6730 1 1 1 1 32 THR C 131.323 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 32 THR CA 60.050 . 62.22 2.59 4.0212e-01 6730 1 1 1 1 32 THR CB 67.703 . 69.73 1.63 2.1366e-01 6730 1 1 1 1 32 THR CG2 21.200 . 21.55 1.11 7.5252e-01 6730 1 1 1 1 32 THR H 8.764 . 8.24 0.62 3.9802e-01 6730 1 1 1 1 32 THR HA 4.330 . 4.46 0.48 7.8652e-01 6730 1 1 1 1 32 THR HB 4.415 . 4.17 0.33 4.5783e-01 6730 1 1 1 1 32 THR HG21 1.049 . 1.14 0.23 6.9236e-01 6730 1 1 1 1 32 THR HG22 1.049 . 1.14 0.23 6.9236e-01 6730 1 1 1 1 32 THR HG23 1.049 . 1.14 0.23 6.9236e-01 6730 1 1 1 1 32 THR N 115.586 . 115.42 4.75 9.7212e-01 6730 1 1 1 1 34 ASP C 131.688 A 176.4 1.75 0.0000e+00 6730 1 1 1 1 34 ASP CA 53.929 . 54.69 2.03 7.0775e-01 6730 1 1 1 1 34 ASP CB 40.037 . 40.88 1.62 6.0281e-01 6730 1 1 1 1 34 ASP H 8.882 . 8.31 0.58 3.2403e-01 6730 1 1 1 1 34 ASP HA 4.758 . 4.59 0.32 5.9958e-01 6730 1 1 1 1 34 ASP HB2 2.903 . 2.72 0.26 4.8153e-01 6730 1 1 1 1 34 ASP HB3 2.548 . 2.66 0.28 6.8916e-01 6730 1 1 1 1 34 ASP N 118.464 . 120.65 3.86 5.7118e-01 6730 1 1 1 1 35 ALA C 134.108 A 177.74 2.13 0.0000e+00 6730 1 1 1 1 35 ALA CA 52.098 . 53.14 1.98 5.9871e-01 6730 1 1 1 1 35 ALA CB 19.722 . 19.01 1.83 6.9722e-01 6730 1 1 1 1 35 ALA H 7.718 . 8.2 0.6 4.2178e-01 6730 1 1 1 1 35 ALA HA 4.109 . 4.26 0.44 7.3146e-01 6730 1 1 1 1 35 ALA HB1 1.042 . 1.35 0.26 2.3617e-01 6730 1 1 1 1 35 ALA HB2 1.042 . 1.35 0.26 2.3617e-01 6730 1 1 1 1 35 ALA HB3 1.042 . 1.35 0.26 2.3617e-01 6730 1 1 1 1 35 ALA N 121.890 . 123.23 3.54 7.0504e-01 6730 1 1 1 1 36 GLY C 129.997 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 36 GLY CA 43.913 . 45.35 1.34 2.8355e-01 6730 1 1 1 1 36 GLY H 8.326 . 8.33 0.65 9.9509e-01 6730 1 1 1 1 36 GLY HA2 4.164 . 3.97 0.37 6.0005e-01 6730 1 1 1 1 36 GLY HA3 4.028 . 3.9 0.37 7.2938e-01 6730 1 1 1 1 36 GLY N 107.540 . 109.67 3.87 5.8205e-01 6730 1 1 1 1 37 GLU C 132.590 A 176.87 1.95 0.0000e+00 6730 1 1 1 1 37 GLU CA 56.416 . 57.32 2.09 6.6535e-01 6730 1 1 1 1 37 GLU CB 29.737 . 30.01 1.72 8.7389e-01 6730 1 1 1 1 37 GLU CG 35.495 . 36.11 1.19 6.0529e-01 6730 1 1 1 1 37 GLU H 8.712 . 8.33 0.59 5.1734e-01 6730 1 1 1 1 37 GLU HA 4.371 . 4.25 0.41 7.6790e-01 6730 1 1 1 1 37 GLU HB2 2.087 . 2.02 0.21 7.4969e-01 6730 1 1 1 1 37 GLU HB3 2.039 . 1.99 0.23 8.3129e-01 6730 1 1 1 1 37 GLU HG2 2.340 . 2.27 0.21 7.3888e-01 6730 1 1 1 1 37 GLU N 122.466 . 120.67 3.48 6.0579e-01 6730 1 1 1 1 38 GLY C 128.732 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 38 GLY CA 44.756 . 45.35 1.34 6.5756e-01 6730 1 1 1 1 38 GLY H 8.368 . 8.33 0.65 9.5338e-01 6730 1 1 1 1 38 GLY HA2 3.977 . 3.97 0.37 9.8491e-01 6730 1 1 1 1 38 GLY HA3 3.817 . 3.9 0.37 8.2250e-01 6730 1 1 1 1 38 GLY N 110.574 . 109.67 3.87 8.1530e-01 6730 1 1 1 1 39 GLY C 128.889 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 39 GLY CA 43.849 . 45.35 1.34 2.6265e-01 6730 1 1 1 1 39 GLY H 7.627 . 8.33 0.65 2.7946e-01 6730 1 1 1 1 39 GLY HA2 4.262 . 3.97 0.37 4.3000e-01 6730 1 1 1 1 39 GLY HA3 3.534 . 3.9 0.37 3.2257e-01 6730 1 1 1 1 39 GLY N 105.044 . 109.67 3.87 2.3195e-01 6730 1 1 1 1 40 LEU C 132.596 A 176.99 1.98 0.0000e+00 6730 1 1 1 1 40 LEU CA 53.718 . 55.62 2.13 3.7188e-01 6730 1 1 1 1 40 LEU CB 43.792 . 42.31 1.88 4.3052e-01 6730 1 1 1 1 40 LEU CG 26.936 . 26.78 1.1 8.8722e-01 6730 1 1 1 1 40 LEU CD1 25.723 . 24.72 1.59 5.2816e-01 6730 1 1 1 1 40 LEU CD2 23.985 . 24.05 1.7 9.6950e-01 6730 1 1 1 1 40 LEU H 8.669 . 8.23 0.65 4.9943e-01 6730 1 1 1 1 40 LEU HA 5.161 . 4.32 0.47 7.3557e-02 6730 1 1 1 1 40 LEU HB2 1.940 . 1.61 0.34 3.3175e-01 6730 1 1 1 1 40 LEU HB3 1.557 . 1.52 0.36 9.1814e-01 6730 1 1 1 1 40 LEU HG 1.604 . 1.51 0.33 7.7576e-01 6730 1 1 1 1 40 LEU HD11 0.958 . 0.75 0.28 4.5757e-01 6730 1 1 1 1 40 LEU HD12 0.958 . 0.75 0.28 4.5757e-01 6730 1 1 1 1 40 LEU HD13 0.958 . 0.75 0.28 4.5757e-01 6730 1 1 1 1 40 LEU HD21 1.071 . 0.73 0.29 2.3965e-01 6730 1 1 1 1 40 LEU HD22 1.071 . 0.73 0.29 2.3965e-01 6730 1 1 1 1 40 LEU HD23 1.071 . 0.73 0.29 2.3965e-01 6730 1 1 1 1 40 LEU N 126.133 . 121.86 3.9 2.7324e-01 6730 1 1 1 1 41 SER C 128.341 A 174.62 1.72 0.0000e+00 6730 1 1 1 1 41 SER CA 56.442 . 58.72 2.07 2.7112e-01 6730 1 1 1 1 41 SER CB 64.768 . 63.8 1.48 5.1308e-01 6730 1 1 1 1 41 SER H 9.401 . 8.28 0.59 5.7433e-02 6730 1 1 1 1 41 SER HA 4.866 . 4.48 0.4 3.3454e-01 6730 1 1 1 1 41 SER HB2 3.762 . 3.88 0.25 6.3693e-01 6730 1 1 1 1 41 SER HB3 3.677 . 3.85 0.27 5.2169e-01 6730 1 1 1 1 41 SER HG 8.500 . 5.36 1.03 2.2995e-03 6730 1 1 1 1 41 SER N 122.263 . 116.28 3.52 8.9184e-02 6730 1 1 1 1 43 ALA C 130.414 A 177.74 2.13 0.0000e+00 6730 1 1 1 1 43 ALA CA 51.350 . 53.14 1.98 3.6597e-01 6730 1 1 1 1 43 ALA CB 22.042 . 19.01 1.83 9.7554e-02 6730 1 1 1 1 43 ALA H 8.729 . 8.2 0.6 3.7796e-01 6730 1 1 1 1 43 ALA HA 4.652 . 4.26 0.44 3.7298e-01 6730 1 1 1 1 43 ALA HB1 1.493 . 1.35 0.26 5.8232e-01 6730 1 1 1 1 43 ALA HB2 1.493 . 1.35 0.26 5.8232e-01 6730 1 1 1 1 43 ALA HB3 1.493 . 1.35 0.26 5.8232e-01 6730 1 1 1 1 43 ALA N 124.040 . 123.23 3.54 8.1901e-01 6730 1 1 1 1 44 ILE C 131.236 A 175.85 1.92 0.0000e+00 6730 1 1 1 1 44 ILE CA 59.012 . 61.61 2.68 3.3234e-01 6730 1 1 1 1 44 ILE CB 40.526 . 38.63 2.02 3.4793e-01 6730 1 1 1 1 44 ILE CG1 27.564 . 27.71 1.68 9.3075e-01 6730 1 1 1 1 44 ILE CG2 16.682 . 17.53 1.36 5.3294e-01 6730 1 1 1 1 44 ILE CD1 13.241 . 13.43 1.67 9.0989e-01 6730 1 1 1 1 44 ILE H 8.756 . 8.28 0.68 4.8393e-01 6730 1 1 1 1 44 ILE HA 5.357 . 4.18 0.56 3.5572e-02 6730 1 1 1 1 44 ILE HB 1.637 . 1.78 0.29 6.2194e-01 6730 1 1 1 1 44 ILE HG12 1.441 . 1.28 0.4 6.8732e-01 6730 1 1 1 1 44 ILE HG13 1.041 . 1.19 0.41 7.1629e-01 6730 1 1 1 1 44 ILE HG21 0.843 . 0.77 0.27 7.8688e-01 6730 1 1 1 1 44 ILE HG22 0.843 . 0.77 0.27 7.8688e-01 6730 1 1 1 1 44 ILE HG23 0.843 . 0.77 0.27 7.8688e-01 6730 1 1 1 1 44 ILE HD11 0.163 . 0.68 0.29 7.4626e-02 6730 1 1 1 1 44 ILE HD12 0.163 . 0.68 0.29 7.4626e-02 6730 1 1 1 1 44 ILE HD13 0.163 . 0.68 0.29 7.4626e-02 6730 1 1 1 1 44 ILE N 120.267 . 121.46 4.28 7.8045e-01 6730 1 1 1 1 45 GLU C 131.224 A 176.87 1.95 0.0000e+00 6730 1 1 1 1 45 GLU CA 53.489 . 57.32 2.09 6.6801e-02 6730 1 1 1 1 45 GLU CB 31.916 . 30.01 1.72 2.6780e-01 6730 1 1 1 1 45 GLU CG 35.048 . 36.11 1.19 3.7216e-01 6730 1 1 1 1 45 GLU H 9.330 . 8.33 0.59 9.0092e-02 6730 1 1 1 1 45 GLU HA 4.947 . 4.25 0.41 8.9131e-02 6730 1 1 1 1 45 GLU HB2 2.078 . 2.02 0.21 7.8240e-01 6730 1 1 1 1 45 GLU HB3 1.888 . 1.99 0.23 6.5742e-01 6730 1 1 1 1 45 GLU HG2 2.236 . 2.27 0.21 8.7138e-01 6730 1 1 1 1 45 GLU N 128.562 . 120.67 3.48 2.3340e-02 6730 1 1 1 1 47 PRO C 132.244 A 176.75 1.51 0.0000e+00 6730 1 1 1 1 47 PRO CA 63.452 . 63.33 1.52 9.3603e-01 6730 1 1 1 1 47 PRO CB 31.641 . 31.85 1.18 8.5942e-01 6730 1 1 1 1 47 PRO CG 26.125 . 27.17 1.09 3.3770e-01 6730 1 1 1 1 47 PRO CD 48.290 . 50.32 0.99 4.0315e-02 6730 1 1 1 1 47 PRO HA 4.306 . 4.4 0.33 7.7576e-01 6730 1 1 1 1 47 PRO HB2 2.327 . 2.08 0.35 4.8037e-01 6730 1 1 1 1 47 PRO HB3 1.853 . 2 0.36 6.8303e-01 6730 1 1 1 1 47 PRO HG2 1.867 . 1.93 0.31 8.3896e-01 6730 1 1 1 1 47 PRO HG3 1.699 . 1.9 0.33 5.4246e-01 6730 1 1 1 1 47 PRO HD2 3.023 . 3.65 0.35 7.3225e-02 6730 1 1 1 1 47 PRO HD3 1.868 S 3.61 0.39 7.9448e-06 6730 1 1 1 1 48 SER C 129.197 A 174.62 1.72 0.0000e+00 6730 1 1 1 1 48 SER CA 55.816 . 58.72 2.07 1.6065e-01 6730 1 1 1 1 48 SER CB 65.831 . 63.8 1.48 1.6997e-01 6730 1 1 1 1 48 SER H 7.145 . 8.28 0.59 5.4389e-02 6730 1 1 1 1 48 SER HA 4.636 . 4.48 0.4 6.9654e-01 6730 1 1 1 1 48 SER HB2 3.983 . 3.88 0.25 6.8034e-01 6730 1 1 1 1 48 SER HB3 3.740 . 3.85 0.27 6.8371e-01 6730 1 1 1 1 48 SER N 108.487 . 116.28 3.52 2.6834e-02 6730 1 1 1 1 51 GLU C 132.766 A 176.87 1.95 0.0000e+00 6730 1 1 1 1 51 GLU CA 56.319 . 57.32 2.09 6.3198e-01 6730 1 1 1 1 51 GLU CB 29.741 . 30.01 1.72 8.7572e-01 6730 1 1 1 1 51 GLU CG 35.473 . 36.11 1.19 5.9245e-01 6730 1 1 1 1 51 GLU H 8.730 . 8.33 0.59 4.9779e-01 6730 1 1 1 1 51 GLU HA 4.281 . 4.25 0.41 9.3973e-01 6730 1 1 1 1 51 GLU HB2 2.039 . 2.02 0.21 9.2791e-01 6730 1 1 1 1 51 GLU HB3 1.992 . 1.99 0.23 9.9306e-01 6730 1 1 1 1 51 GLU HG2 2.412 . 2.27 0.21 4.9892e-01 6730 1 1 1 1 51 GLU HG3 2.300 . 2.25 0.22 8.2021e-01 6730 1 1 1 1 51 GLU N 123.921 . 120.67 3.48 3.5020e-01 6730 1 1 1 1 52 ILE C 131.518 A 175.85 1.92 0.0000e+00 6730 1 1 1 1 52 ILE CA 59.959 . 61.61 2.68 5.3787e-01 6730 1 1 1 1 52 ILE CB 40.734 . 38.63 2.02 2.9760e-01 6730 1 1 1 1 52 ILE CG1 27.839 . 27.71 1.68 9.3879e-01 6730 1 1 1 1 52 ILE CG2 16.703 . 17.53 1.36 5.4313e-01 6730 1 1 1 1 52 ILE CD1 13.581 . 13.43 1.67 9.2795e-01 6730 1 1 1 1 52 ILE H 8.749 . 8.28 0.68 4.9038e-01 6730 1 1 1 1 52 ILE HA 4.888 . 4.18 0.56 2.0613e-01 6730 1 1 1 1 52 ILE HB 1.673 . 1.78 0.29 7.1215e-01 6730 1 1 1 1 52 ILE HG12 1.875 . 1.28 0.4 1.3688e-01 6730 1 1 1 1 52 ILE HG13 0.815 . 1.19 0.41 3.6038e-01 6730 1 1 1 1 52 ILE HG21 0.845 . 0.77 0.27 7.8118e-01 6730 1 1 1 1 52 ILE HG22 0.845 . 0.77 0.27 7.8118e-01 6730 1 1 1 1 52 ILE HG23 0.845 . 0.77 0.27 7.8118e-01 6730 1 1 1 1 52 ILE HD11 0.841 . 0.68 0.29 5.7878e-01 6730 1 1 1 1 52 ILE HD12 0.841 . 0.68 0.29 5.7878e-01 6730 1 1 1 1 52 ILE HD13 0.841 . 0.68 0.29 5.7878e-01 6730 1 1 1 1 52 ILE N 125.613 . 121.46 4.28 3.3188e-01 6730 1 1 1 1 53 SER C 128.595 A 174.62 1.72 0.0000e+00 6730 1 1 1 1 53 SER CA 56.359 . 58.72 2.07 2.5404e-01 6730 1 1 1 1 53 SER CB 64.365 . 63.8 1.48 7.0264e-01 6730 1 1 1 1 53 SER H 9.357 . 8.28 0.59 6.7937e-02 6730 1 1 1 1 53 SER HA 4.823 . 4.48 0.4 3.9117e-01 6730 1 1 1 1 53 SER HB2 3.780 . 3.88 0.25 6.8916e-01 6730 1 1 1 1 53 SER HB3 3.742 . 3.85 0.27 6.8916e-01 6730 1 1 1 1 53 SER N 123.418 . 116.28 3.52 4.2577e-02 6730 1 1 1 1 54 CYS C 129.767 A 174.95 2.07 0.0000e+00 6730 1 1 1 1 54 CYS CA 56.565 . 58.3 3.33 6.0235e-01 6730 1 1 1 1 54 CYS CB 28.371 . 32.49 6.01 4.9312e-01 6730 1 1 1 1 54 CYS H 8.890 . 8.39 0.67 4.5551e-01 6730 1 1 1 1 54 CYS HA 5.202 . 4.66 0.55 3.2440e-01 6730 1 1 1 1 54 CYS HB2 2.834 . 2.96 0.44 7.7460e-01 6730 1 1 1 1 54 CYS HB3 2.497 . 2.89 0.46 3.9291e-01 6730 1 1 1 1 54 CYS N 124.838 . 120.17 4.64 3.1440e-01 6730 1 1 1 1 55 THR C 128.691 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 55 THR CA 60.713 . 62.22 2.59 5.6067e-01 6730 1 1 1 1 55 THR CB 70.744 . 69.73 1.63 5.3389e-01 6730 1 1 1 1 55 THR CG2 20.649 . 21.55 1.11 4.1696e-01 6730 1 1 1 1 55 THR H 9.011 . 8.24 0.62 2.1367e-01 6730 1 1 1 1 55 THR HA 4.529 . 4.46 0.48 8.8570e-01 6730 1 1 1 1 55 THR HB 3.996 . 4.17 0.33 5.9800e-01 6730 1 1 1 1 55 THR HG21 1.173 . 1.14 0.23 8.8591e-01 6730 1 1 1 1 55 THR HG22 1.173 . 1.14 0.23 8.8591e-01 6730 1 1 1 1 55 THR HG23 1.173 . 1.14 0.23 8.8591e-01 6730 1 1 1 1 55 THR N 124.071 . 115.42 4.75 6.8567e-02 6730 1 1 1 1 60 GLY C 129.177 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 60 GLY CA 44.642 . 45.35 1.34 5.9725e-01 6730 1 1 1 1 60 GLY H 8.770 . 8.33 0.65 4.9845e-01 6730 1 1 1 1 60 GLY HA2 4.357 . 3.97 0.37 2.9559e-01 6730 1 1 1 1 60 GLY HA3 3.713 . 3.9 0.37 6.1327e-01 6730 1 1 1 1 61 THR C 129.794 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 61 THR CA 59.292 . 62.22 2.59 2.5826e-01 6730 1 1 1 1 61 THR CB 72.759 . 69.73 1.63 6.3129e-02 6730 1 1 1 1 61 THR CG2 20.863 . 21.55 1.11 5.3597e-01 6730 1 1 1 1 61 THR H 8.155 . 8.24 0.62 8.9095e-01 6730 1 1 1 1 61 THR HA 5.600 . 4.46 0.48 1.7549e-02 6730 1 1 1 1 61 THR HB 4.117 . 4.17 0.33 8.7240e-01 6730 1 1 1 1 61 THR HG21 1.185 . 1.14 0.23 8.4488e-01 6730 1 1 1 1 61 THR HG22 1.185 . 1.14 0.23 8.4488e-01 6730 1 1 1 1 61 THR HG23 1.185 . 1.14 0.23 8.4488e-01 6730 1 1 1 1 61 THR N 109.872 . 115.42 4.75 2.4281e-01 6730 1 1 1 1 62 CYS C 130.170 A 174.95 2.07 0.0000e+00 6730 1 1 1 1 62 CYS CA 56.126 . 58.3 3.33 5.1385e-01 6730 1 1 1 1 62 CYS CB 30.054 . 32.49 6.01 6.8524e-01 6730 1 1 1 1 62 CYS H 9.138 . 8.39 0.67 2.6424e-01 6730 1 1 1 1 62 CYS HA 5.430 . 4.66 0.55 1.6151e-01 6730 1 1 1 1 62 CYS HB2 2.764 . 2.96 0.44 6.5599e-01 6730 1 1 1 1 62 CYS HB3 2.706 . 2.89 0.46 6.8916e-01 6730 1 1 1 1 62 CYS N 117.488 . 120.17 4.64 5.6325e-01 6730 1 1 1 1 63 SER C 129.047 A 174.62 1.72 0.0000e+00 6730 1 1 1 1 63 SER CA 57.389 . 58.72 2.07 5.2023e-01 6730 1 1 1 1 63 SER CB 63.326 . 63.8 1.48 7.4876e-01 6730 1 1 1 1 63 SER H 9.191 . 8.28 0.59 1.2257e-01 6730 1 1 1 1 63 SER HA 4.855 . 4.48 0.4 3.4850e-01 6730 1 1 1 1 63 SER HB2 3.992 . 3.88 0.25 6.5415e-01 6730 1 1 1 1 63 SER HB3 3.772 . 3.85 0.27 7.7267e-01 6730 1 1 1 1 63 SER N 121.350 . 116.28 3.52 1.4977e-01 6730 1 1 1 1 64 VAL C 130.584 A 175.62 1.9 0.0000e+00 6730 1 1 1 1 64 VAL CA 59.949 . 62.49 2.86 3.7429e-01 6730 1 1 1 1 64 VAL CB 31.987 . 32.73 1.79 6.7808e-01 6730 1 1 1 1 64 VAL CG1 22.664 . 21.49 1.36 3.8801e-01 6730 1 1 1 1 64 VAL CG2 21.307 . 21.26 1.56 9.7596e-01 6730 1 1 1 1 64 VAL H 9.050 . 8.29 0.67 2.5666e-01 6730 1 1 1 1 64 VAL HA 4.642 . 4.19 0.58 4.3580e-01 6730 1 1 1 1 64 VAL HB 0.106 S 1.98 0.32 4.7344e-09 6730 1 1 1 1 64 VAL HG11 0.554 . 0.83 0.26 2.8845e-01 6730 1 1 1 1 64 VAL HG12 0.554 . 0.83 0.26 2.8845e-01 6730 1 1 1 1 64 VAL HG13 0.554 . 0.83 0.26 2.8845e-01 6730 1 1 1 1 64 VAL HG21 0.530 . 0.8 0.28 3.3490e-01 6730 1 1 1 1 64 VAL HG22 0.530 . 0.8 0.28 3.3490e-01 6730 1 1 1 1 64 VAL HG23 0.530 . 0.8 0.28 3.3490e-01 6730 1 1 1 1 64 VAL N 129.261 . 121.14 4.54 7.3653e-02 6730 1 1 1 1 65 SER C 128.776 A 174.62 1.72 0.0000e+00 6730 1 1 1 1 65 SER CA 55.350 . 58.72 2.07 1.0352e-01 6730 1 1 1 1 65 SER CB 65.375 . 63.8 1.48 2.8724e-01 6730 1 1 1 1 65 SER H 8.766 . 8.28 0.59 4.1009e-01 6730 1 1 1 1 65 SER HA 5.615 . 4.48 0.4 4.5468e-03 6730 1 1 1 1 65 SER HB2 3.575 . 3.88 0.25 2.2246e-01 6730 1 1 1 1 65 SER HB3 3.473 . 3.85 0.27 1.6263e-01 6730 1 1 1 1 65 SER N 120.839 . 116.28 3.52 1.9526e-01 6730 1 1 1 1 68 PRO C 133.427 A 176.75 1.51 0.0000e+00 6730 1 1 1 1 68 PRO CA 61.071 . 63.33 1.52 1.3723e-01 6730 1 1 1 1 68 PRO CB 31.826 . 31.85 1.18 9.8377e-01 6730 1 1 1 1 68 PRO CG 26.112 . 27.17 1.09 3.3173e-01 6730 1 1 1 1 68 PRO CD 49.484 . 50.32 0.99 3.9842e-01 6730 1 1 1 1 68 PRO HA 4.704 . 4.4 0.33 3.5694e-01 6730 1 1 1 1 68 PRO HB2 1.704 . 2.08 0.35 2.8269e-01 6730 1 1 1 1 68 PRO HB3 1.286 . 2 0.36 4.7330e-02 6730 1 1 1 1 68 PRO HG2 2.227 . 1.93 0.31 3.3803e-01 6730 1 1 1 1 68 PRO HG3 1.579 . 1.9 0.33 3.3069e-01 6730 1 1 1 1 68 PRO HD2 4.195 . 3.65 0.35 1.1944e-01 6730 1 1 1 1 68 PRO HD3 3.527 . 3.61 0.39 8.3147e-01 6730 1 1 1 1 69 VAL C 131.215 A 175.62 1.9 0.0000e+00 6730 1 1 1 1 69 VAL CA 61.093 . 62.49 2.86 6.2522e-01 6730 1 1 1 1 69 VAL CB 31.736 . 32.73 1.79 5.7868e-01 6730 1 1 1 1 69 VAL CG1 20.593 . 21.49 1.36 5.0954e-01 6730 1 1 1 1 69 VAL CG2 18.546 . 21.26 1.56 8.1904e-02 6730 1 1 1 1 69 VAL H 8.509 . 8.29 0.67 7.4377e-01 6730 1 1 1 1 69 VAL HA 4.546 . 4.19 0.58 5.3935e-01 6730 1 1 1 1 69 VAL HB 2.472 . 1.98 0.32 1.2417e-01 6730 1 1 1 1 69 VAL HG11 1.000 . 0.83 0.26 5.1321e-01 6730 1 1 1 1 69 VAL HG12 1.000 . 0.83 0.26 5.1321e-01 6730 1 1 1 1 69 VAL HG13 1.000 . 0.83 0.26 5.1321e-01 6730 1 1 1 1 69 VAL HG21 0.998 . 0.8 0.28 4.7948e-01 6730 1 1 1 1 69 VAL HG22 0.998 . 0.8 0.28 4.7948e-01 6730 1 1 1 1 69 VAL HG23 0.998 . 0.8 0.28 4.7948e-01 6730 1 1 1 1 69 VAL N 115.010 . 121.14 4.54 1.7695e-01 6730 1 1 1 1 71 PRO C 130.307 A 176.75 1.51 0.0000e+00 6730 1 1 1 1 71 PRO CA 62.108 . 63.33 1.52 4.2143e-01 6730 1 1 1 1 71 PRO CB 31.855 . 31.85 1.18 9.9662e-01 6730 1 1 1 1 71 PRO CG 26.263 . 27.17 1.09 4.0535e-01 6730 1 1 1 1 71 PRO CD 50.142 . 50.32 0.99 8.5731e-01 6730 1 1 1 1 71 PRO HA 4.365 . 4.4 0.33 9.1553e-01 6730 1 1 1 1 71 PRO HB2 2.232 . 2.08 0.35 6.6408e-01 6730 1 1 1 1 71 PRO HB3 2.163 . 2 0.36 6.5071e-01 6730 1 1 1 1 71 PRO HG2 2.153 . 1.93 0.31 4.7192e-01 6730 1 1 1 1 71 PRO HG3 2.004 . 1.9 0.33 7.5265e-01 6730 1 1 1 1 71 PRO HD2 3.855 . 3.65 0.35 5.5807e-01 6730 1 1 1 1 71 PRO HD3 3.749 . 3.61 0.39 7.2153e-01 6730 1 1 1 1 72 GLY C 127.649 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 72 GLY CA 43.654 . 45.35 1.34 2.0563e-01 6730 1 1 1 1 72 GLY H 8.880 . 8.33 0.65 3.9747e-01 6730 1 1 1 1 72 GLY HA2 4.497 . 3.97 0.37 1.5435e-01 6730 1 1 1 1 72 GLY HA3 3.870 . 3.9 0.37 9.3538e-01 6730 1 1 1 1 72 GLY N 106.428 . 109.67 3.87 4.0218e-01 6730 1 1 1 1 73 ASP C 131.836 A 176.4 1.75 0.0000e+00 6730 1 1 1 1 73 ASP CA 52.951 . 54.69 2.03 3.9164e-01 6730 1 1 1 1 73 ASP CB 40.498 . 40.88 1.62 8.1359e-01 6730 1 1 1 1 73 ASP H 8.400 . 8.31 0.58 8.7669e-01 6730 1 1 1 1 73 ASP HA 5.659 S 4.59 0.32 8.3590e-04 6730 1 1 1 1 73 ASP HB2 2.487 . 2.72 0.26 3.7017e-01 6730 1 1 1 1 73 ASP HB3 2.348 . 2.66 0.28 2.6516e-01 6730 1 1 1 1 73 ASP N 120.992 . 120.65 3.86 9.2940e-01 6730 1 1 1 1 75 SER C 129.645 A 174.62 1.72 0.0000e+00 6730 1 1 1 1 75 SER CA 56.057 . 58.72 2.07 1.9828e-01 6730 1 1 1 1 75 SER CB 63.718 . 63.8 1.48 9.5582e-01 6730 1 1 1 1 75 SER H 9.270 . 8.28 0.59 9.3354e-02 6730 1 1 1 1 75 SER HA 5.427 . 4.48 0.4 1.7909e-02 6730 1 1 1 1 75 SER HB2 3.771 . 3.88 0.25 6.6284e-01 6730 1 1 1 1 75 SER HG 9.514 A 5.36 1.03 5.5067e-05 6730 1 1 1 1 75 SER N 118.629 . 116.28 3.52 5.0456e-01 6730 1 1 1 1 76 ILE C 130.509 A 175.85 1.92 0.0000e+00 6730 1 1 1 1 76 ILE CA 60.311 . 61.61 2.68 6.2789e-01 6730 1 1 1 1 76 ILE CB 38.694 . 38.63 2.02 9.7472e-01 6730 1 1 1 1 76 ILE CG1 26.994 . 27.71 1.68 6.6997e-01 6730 1 1 1 1 76 ILE CG2 17.105 . 17.53 1.36 7.5466e-01 6730 1 1 1 1 76 ILE CD1 14.569 . 13.43 1.67 4.9522e-01 6730 1 1 1 1 76 ILE H 9.545 . 8.28 0.68 6.2844e-02 6730 1 1 1 1 76 ILE HA 4.556 . 4.18 0.56 5.0195e-01 6730 1 1 1 1 76 ILE HB 1.861 . 1.78 0.29 7.8001e-01 6730 1 1 1 1 76 ILE HG12 1.301 . 1.28 0.4 9.5813e-01 6730 1 1 1 1 76 ILE HG13 0.673 . 1.19 0.41 2.0732e-01 6730 1 1 1 1 76 ILE HG21 0.577 . 0.77 0.27 4.7472e-01 6730 1 1 1 1 76 ILE HG22 0.577 . 0.77 0.27 4.7472e-01 6730 1 1 1 1 76 ILE HG23 0.577 . 0.77 0.27 4.7472e-01 6730 1 1 1 1 76 ILE HD11 0.606 . 0.68 0.29 7.9859e-01 6730 1 1 1 1 76 ILE HD12 0.606 . 0.68 0.29 7.9859e-01 6730 1 1 1 1 76 ILE HD13 0.606 . 0.68 0.29 7.9859e-01 6730 1 1 1 1 76 ILE N 127.696 . 121.46 4.28 1.4511e-01 6730 1 1 1 1 77 LEU C 131.717 A 176.99 1.98 0.0000e+00 6730 1 1 1 1 77 LEU CA 55.038 . 55.62 2.13 7.8467e-01 6730 1 1 1 1 77 LEU CB 41.775 . 42.31 1.88 7.7597e-01 6730 1 1 1 1 77 LEU CG 29.557 . 26.78 1.1 1.1585e-02 6730 1 1 1 1 77 LEU CD1 26.331 . 24.72 1.59 3.1096e-01 6730 1 1 1 1 77 LEU CD2 24.102 . 24.05 1.7 9.7560e-01 6730 1 1 1 1 77 LEU H 9.428 . 8.23 0.65 6.5318e-02 6730 1 1 1 1 77 LEU HA 4.802 . 4.32 0.47 3.0511e-01 6730 1 1 1 1 77 LEU HB2 1.906 . 1.61 0.34 3.8398e-01 6730 1 1 1 1 77 LEU HB3 1.377 . 1.52 0.36 6.9120e-01 6730 1 1 1 1 77 LEU HG 1.682 . 1.51 0.33 6.0222e-01 6730 1 1 1 1 77 LEU HD11 0.935 . 0.75 0.28 5.0880e-01 6730 1 1 1 1 77 LEU HD12 0.935 . 0.75 0.28 5.0880e-01 6730 1 1 1 1 77 LEU HD13 0.935 . 0.75 0.28 5.0880e-01 6730 1 1 1 1 77 LEU HD21 0.892 . 0.73 0.29 5.7642e-01 6730 1 1 1 1 77 LEU HD22 0.892 . 0.73 0.29 5.7642e-01 6730 1 1 1 1 77 LEU HD23 0.892 . 0.73 0.29 5.7642e-01 6730 1 1 1 1 77 LEU N 130.103 . 121.86 3.9 3.4550e-02 6730 1 1 1 1 81 ASN C 130.865 A 175.27 1.79 0.0000e+00 6730 1 1 1 1 81 ASN CA 53.828 . 53.54 1.88 8.7825e-01 6730 1 1 1 1 81 ASN CB 36.405 . 38.69 1.69 1.7635e-01 6730 1 1 1 1 81 ASN H 8.929 . 8.34 0.63 3.4983e-01 6730 1 1 1 1 81 ASN HA 4.490 . 4.67 0.36 6.1707e-01 6730 1 1 1 1 81 ASN HB2 3.210 . 2.81 0.31 1.9694e-01 6730 1 1 1 1 81 ASN HB3 2.740 . 2.75 0.33 9.7583e-01 6730 1 1 1 1 81 ASN HD21 7.601 . 7.35 0.48 6.0103e-01 6730 1 1 1 1 81 ASN HD22 6.916 . 7.14 0.49 6.4757e-01 6730 1 1 1 1 81 ASN N 128.952 . 118.93 4.03 1.2888e-02 6730 1 1 1 1 81 ASN ND2 111.774 . 112.75 2.23 6.6163e-01 6730 1 1 1 1 82 GLU C 130.807 A 176.87 1.95 0.0000e+00 6730 1 1 1 1 82 GLU CA 57.127 . 57.32 2.09 9.2642e-01 6730 1 1 1 1 82 GLU CB 26.357 . 30.01 1.72 3.3684e-02 6730 1 1 1 1 82 GLU CG 35.452 . 36.11 1.19 5.8030e-01 6730 1 1 1 1 82 GLU H 8.939 . 8.33 0.59 3.0198e-01 6730 1 1 1 1 82 GLU HA 3.543 . 4.25 0.41 8.4637e-02 6730 1 1 1 1 82 GLU HB2 2.258 . 2.02 0.21 2.5707e-01 6730 1 1 1 1 82 GLU HG2 2.071 . 2.27 0.21 3.4332e-01 6730 1 1 1 1 82 GLU N 106.873 S 120.67 3.48 7.3502e-05 6730 1 1 1 1 83 GLN C 132.272 A 176.31 1.95 0.0000e+00 6730 1 1 1 1 83 GLN CA 53.014 . 56.57 2.14 9.6576e-02 6730 1 1 1 1 83 GLN CB 30.339 . 29.19 1.82 5.2783e-01 6730 1 1 1 1 83 GLN CG 32.579 . 33.76 1.11 2.8735e-01 6730 1 1 1 1 83 GLN H 7.629 . 8.22 0.59 3.1649e-01 6730 1 1 1 1 83 GLN HA 4.797 . 4.27 0.44 2.3102e-01 6730 1 1 1 1 83 GLN HB2 2.259 . 2.05 0.25 4.0316e-01 6730 1 1 1 1 83 GLN HB3 2.097 . 2.02 0.28 7.8332e-01 6730 1 1 1 1 83 GLN HG2 2.517 . 2.32 0.27 4.6562e-01 6730 1 1 1 1 83 GLN HG3 2.490 . 2.29 0.29 4.9041e-01 6730 1 1 1 1 83 GLN N 118.987 . 119.89 3.6 8.0194e-01 6730 1 1 1 1 86 PRO C 133.279 A 176.75 1.51 0.0000e+00 6730 1 1 1 1 86 PRO CA 64.676 . 63.33 1.52 3.7587e-01 6730 1 1 1 1 86 PRO CB 30.498 . 31.85 1.18 2.5189e-01 6730 1 1 1 1 86 PRO CG 27.628 . 27.17 1.09 6.7435e-01 6730 1 1 1 1 86 PRO CD 49.866 . 50.32 0.99 6.4653e-01 6730 1 1 1 1 86 PRO HA 4.313 . 4.4 0.33 7.9206e-01 6730 1 1 1 1 86 PRO HB2 2.373 . 2.08 0.35 4.0251e-01 6730 1 1 1 1 86 PRO HB3 2.075 . 2 0.36 8.3497e-01 6730 1 1 1 1 86 PRO HG2 2.149 . 1.93 0.31 4.7991e-01 6730 1 1 1 1 86 PRO HG3 2.049 . 1.9 0.33 6.5162e-01 6730 1 1 1 1 86 PRO HD2 4.070 . 3.65 0.35 2.3014e-01 6730 1 1 1 1 86 PRO HD3 3.966 . 3.61 0.39 3.6134e-01 6730 1 1 1 1 87 GLY C 128.098 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 87 GLY CA 44.120 . 45.35 1.34 3.5867e-01 6730 1 1 1 1 87 GLY H 8.388 . 8.33 0.65 9.2890e-01 6730 1 1 1 1 87 GLY HA2 4.230 . 3.97 0.37 4.8224e-01 6730 1 1 1 1 87 GLY HA3 3.214 . 3.9 0.37 6.3732e-02 6730 1 1 1 1 87 GLY N 115.035 . 109.67 3.87 1.6565e-01 6730 1 1 1 1 89 PRO C 132.448 A 176.75 1.51 0.0000e+00 6730 1 1 1 1 89 PRO CA 61.619 . 63.33 1.52 2.6031e-01 6730 1 1 1 1 89 PRO CB 33.214 . 31.85 1.18 2.4771e-01 6730 1 1 1 1 89 PRO CG 24.360 . 27.17 1.09 9.9379e-03 6730 1 1 1 1 89 PRO CD 49.377 . 50.32 0.99 3.4083e-01 6730 1 1 1 1 89 PRO HA 5.394 . 4.4 0.33 2.5943e-03 6730 1 1 1 1 89 PRO HB2 2.002 . 2.08 0.35 8.2365e-01 6730 1 1 1 1 89 PRO HB3 1.959 . 2 0.36 9.0933e-01 6730 1 1 1 1 89 PRO HG2 1.935 . 1.93 0.31 9.8713e-01 6730 1 1 1 1 89 PRO HG3 1.727 . 1.9 0.33 6.0011e-01 6730 1 1 1 1 89 PRO HD2 3.272 . 3.65 0.35 2.8014e-01 6730 1 1 1 1 89 PRO HD3 2.473 . 3.61 0.39 3.5525e-03 6730 1 1 1 1 91 THR C 128.488 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 91 THR CA 61.529 . 62.22 2.59 7.8963e-01 6730 1 1 1 1 91 THR CB 69.447 . 69.73 1.63 8.6216e-01 6730 1 1 1 1 91 THR CG2 20.134 . 21.55 1.11 2.0207e-01 6730 1 1 1 1 91 THR H 8.813 . 8.24 0.62 3.5539e-01 6730 1 1 1 1 91 THR HA 5.184 . 4.46 0.48 1.3147e-01 6730 1 1 1 1 91 THR HB 4.071 . 4.17 0.33 7.6418e-01 6730 1 1 1 1 91 THR HG21 1.085 . 1.14 0.23 8.1100e-01 6730 1 1 1 1 91 THR HG22 1.085 . 1.14 0.23 8.1100e-01 6730 1 1 1 1 91 THR HG23 1.085 . 1.14 0.23 8.1100e-01 6730 1 1 1 1 91 THR N 118.455 . 115.42 4.75 5.2286e-01 6730 1 1 1 1 92 ALA C 131.972 A 177.74 2.13 0.0000e+00 6730 1 1 1 1 92 ALA CA 49.310 . 53.14 1.98 5.3071e-02 6730 1 1 1 1 92 ALA CB 20.721 . 19.01 1.83 3.4980e-01 6730 1 1 1 1 92 ALA H 9.376 . 8.2 0.6 4.9996e-02 6730 1 1 1 1 92 ALA HA 4.492 . 4.26 0.44 5.9800e-01 6730 1 1 1 1 92 ALA HB1 1.079 . 1.35 0.26 2.9727e-01 6730 1 1 1 1 92 ALA HB2 1.079 . 1.35 0.26 2.9727e-01 6730 1 1 1 1 92 ALA HB3 1.079 . 1.35 0.26 2.9727e-01 6730 1 1 1 1 92 ALA N 131.164 . 123.23 3.54 2.5010e-02 6730 1 1 1 1 93 ARG C 131.681 A 176.41 2.03 0.0000e+00 6730 1 1 1 1 93 ARG CA 54.776 . 56.77 2.31 3.8803e-01 6730 1 1 1 1 93 ARG CB 29.799 . 30.7 1.83 6.2247e-01 6730 1 1 1 1 93 ARG CG 26.468 . 27.21 1.2 5.3636e-01 6730 1 1 1 1 93 ARG CD 42.367 . 43.16 0.88 3.6752e-01 6730 1 1 1 1 93 ARG CZ 128.854 A 159.97 2.95 5.2002e-26 6730 1 1 1 1 93 ARG H 7.711 . 8.24 0.61 3.8583e-01 6730 1 1 1 1 93 ARG HA 5.057 . 4.3 0.46 9.9835e-02 6730 1 1 1 1 93 ARG HB2 2.036 . 1.79 0.27 3.6224e-01 6730 1 1 1 1 93 ARG HB3 1.937 . 1.76 0.28 5.2729e-01 6730 1 1 1 1 93 ARG HG2 1.710 . 1.57 0.27 6.0410e-01 6730 1 1 1 1 93 ARG HG3 1.619 . 1.54 0.29 7.8530e-01 6730 1 1 1 1 93 ARG HD2 3.285 . 3.12 0.24 4.9177e-01 6730 1 1 1 1 93 ARG HE 8.095 . 7.4 0.63 2.6995e-01 6730 1 1 1 1 93 ARG N 123.181 . 120.8 3.68 5.1762e-01 6730 1 1 1 1 93 ARG NE 116.675 A 84.63 1.68 4.1209e-81 6730 1 1 1 1 94 VAL C 133.296 A 175.62 1.9 0.0000e+00 6730 1 1 1 1 94 VAL CA 60.286 . 62.49 2.86 4.4093e-01 6730 1 1 1 1 94 VAL CB 31.343 . 32.73 1.79 4.3842e-01 6730 1 1 1 1 94 VAL CG1 20.919 . 21.49 1.36 6.7459e-01 6730 1 1 1 1 94 VAL CG2 21.260 . 21.26 1.56 1.0000e+00 6730 1 1 1 1 94 VAL H 9.577 . 8.29 0.67 5.4745e-02 6730 1 1 1 1 94 VAL HA 4.792 . 4.19 0.58 2.9930e-01 6730 1 1 1 1 94 VAL HB 2.513 . 1.98 0.32 9.5788e-02 6730 1 1 1 1 94 VAL HG11 0.717 . 0.83 0.26 6.6384e-01 6730 1 1 1 1 94 VAL HG12 0.717 . 0.83 0.26 6.6384e-01 6730 1 1 1 1 94 VAL HG13 0.717 . 0.83 0.26 6.6384e-01 6730 1 1 1 1 94 VAL HG21 0.668 . 0.8 0.28 6.3733e-01 6730 1 1 1 1 94 VAL HG22 0.668 . 0.8 0.28 6.3733e-01 6730 1 1 1 1 94 VAL HG23 0.668 . 0.8 0.28 6.3733e-01 6730 1 1 1 1 94 VAL N 130.643 . 121.14 4.54 3.6334e-02 6730 1 1 1 1 95 THR C 130.167 A 174.54 1.76 0.0000e+00 6730 1 1 1 1 95 THR CA 59.762 . 62.22 2.59 3.4260e-01 6730 1 1 1 1 95 THR CB 70.275 . 69.73 1.63 7.3811e-01 6730 1 1 1 1 95 THR CG2 20.956 . 21.55 1.11 5.9256e-01 6730 1 1 1 1 95 THR H 8.723 . 8.24 0.62 4.3596e-01 6730 1 1 1 1 95 THR HA 4.833 . 4.46 0.48 4.3711e-01 6730 1 1 1 1 95 THR HB 4.663 . 4.17 0.33 1.3519e-01 6730 1 1 1 1 95 THR HG21 1.415 . 1.14 0.23 2.3183e-01 6730 1 1 1 1 95 THR HG22 1.415 . 1.14 0.23 2.3183e-01 6730 1 1 1 1 95 THR HG23 1.415 . 1.14 0.23 2.3183e-01 6730 1 1 1 1 95 THR N 121.293 . 115.42 4.75 2.1630e-01 6730 1 1 1 1 96 GLY C 129.366 A 173.87 1.88 0.0000e+00 6730 1 1 1 1 96 GLY CA 44.525 . 45.35 1.34 5.3811e-01 6730 1 1 1 1 96 GLY H 8.784 . 8.33 0.65 4.8489e-01 6730 1 1 1 1 96 GLY HA2 4.338 . 3.97 0.37 3.1993e-01 6730 1 1 1 1 96 GLY HA3 3.929 . 3.9 0.37 9.3753e-01 6730 1 1 1 1 96 GLY N 107.428 . 109.67 3.87 5.6237e-01 6730 1 1 1 1 97 ASP C 130.921 A 176.4 1.75 0.0000e+00 6730 1 1 1 1 97 ASP CA 53.149 . 54.69 2.03 4.4779e-01 6730 1 1 1 1 97 ASP CB 40.968 . 40.88 1.62 9.5668e-01 6730 1 1 1 1 97 ASP H 8.413 . 8.31 0.58 8.5905e-01 6730 1 1 1 1 97 ASP HA 4.764 . 4.59 0.32 5.8661e-01 6730 1 1 1 1 97 ASP HB2 2.770 . 2.72 0.26 8.4750e-01 6730 1 1 1 1 97 ASP HB3 2.611 . 2.66 0.28 8.6108e-01 6730 1 1 1 1 97 ASP N 120.681 . 120.65 3.86 9.9359e-01 6730 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 5 VAL VAL 0.55 6730 1 1 1 1 5 VAL CYS 0.42 6730 1 1 1 1 5 VAL MET 0.01 6730 1 1 1 1 6 ASN ASN 0.57 6730 1 1 1 1 6 ASN ASP 0.16 6730 1 1 1 1 6 ASN CYS 0.09 6730 1 1 1 1 6 ASN PHE 0.05 6730 1 1 1 1 6 ASN TYR 0.05 6730 1 1 1 1 6 ASN LEU 0.03 6730 1 1 1 1 7 CYS ARG 0.2 6730 1 1 1 1 7 CYS CYS 0.17 6730 1 1 1 1 7 CYS GLN 0.13 6730 1 1 1 1 7 CYS LEU 0.1 6730 1 1 1 1 7 CYS LYS 0.09 6730 1 1 1 1 7 CYS ILE 0.09 6730 1 1 1 1 7 CYS HIS 0.08 6730 1 1 1 1 7 CYS GLU 0.08 6730 1 1 1 1 8 GLY GLY 0.61 6730 1 1 1 1 8 GLY LEU 0.2 6730 1 1 1 1 8 GLY ARG 0.08 6730 1 1 1 1 8 GLY CYS 0.04 6730 1 1 1 1 8 GLY PHE 0.02 6730 1 1 1 1 8 GLY ASP 0.01 6730 1 1 1 1 8 GLY TYR 0.01 6730 1 1 1 1 10 VAL VAL 0.65 6730 1 1 1 1 10 VAL CYS 0.34 6730 1 1 1 1 11 THR THR 0.55 6730 1 1 1 1 11 THR CYS 0.43 6730 1 1 1 1 12 ALA ALA 0.73 6730 1 1 1 1 12 ALA LEU 0.13 6730 1 1 1 1 12 ALA CYS 0.1 6730 1 1 1 1 12 ALA GLY 0.01 6730 1 1 1 1 15 PRO PRO 0.82 6730 1 1 1 1 15 PRO CYS 0.17 6730 1 1 1 1 16 GLY GLY 0.85 6730 1 1 1 1 16 GLY LEU 0.08 6730 1 1 1 1 16 GLY CYS 0.02 6730 1 1 1 1 16 GLY ARG 0.01 6730 1 1 1 1 17 LEU ALA 0.65 6730 1 1 1 1 17 LEU CYS 0.33 6730 1 1 1 1 17 LEU LEU 0.01 6730 1 1 1 1 18 THR THR 0.86 6730 1 1 1 1 18 THR CYS 0.13 6730 1 1 1 1 20 GLY LEU 0.3 6730 1 1 1 1 20 GLY ARG 0.29 6730 1 1 1 1 20 GLY GLY 0.22 6730 1 1 1 1 20 GLY ASP 0.04 6730 1 1 1 1 20 GLY PHE 0.04 6730 1 1 1 1 20 GLY CYS 0.04 6730 1 1 1 1 20 GLY TYR 0.02 6730 1 1 1 1 21 VAL CYS 0.6 6730 1 1 1 1 21 VAL VAL 0.33 6730 1 1 1 1 21 VAL MET 0.02 6730 1 1 1 1 21 VAL ILE 0.02 6730 1 1 1 1 22 VAL VAL 0.71 6730 1 1 1 1 22 VAL CYS 0.28 6730 1 1 1 1 23 ASN CYS 0.22 6730 1 1 1 1 23 ASN GLU 0.21 6730 1 1 1 1 23 ASN ASN 0.2 6730 1 1 1 1 23 ASN MET 0.11 6730 1 1 1 1 23 ASN TYR 0.09 6730 1 1 1 1 23 ASN PHE 0.05 6730 1 1 1 1 23 ASN LYS 0.03 6730 1 1 1 1 23 ASN ASP 0.01 6730 1 1 1 1 23 ASN GLN 0.01 6730 1 1 1 1 23 ASN ILE 0.01 6730 1 1 1 1 25 PRO PRO 0.62 6730 1 1 1 1 25 PRO CYS 0.37 6730 1 1 1 1 26 ALA ALA 0.93 6730 1 1 1 1 26 ALA MET 0.04 6730 1 1 1 1 26 ALA CYS 0.01 6730 1 1 1 1 27 THR THR 0.68 6730 1 1 1 1 27 THR CYS 0.29 6730 1 1 1 1 27 THR ALA 0.01 6730 1 1 1 1 29 THR THR 0.88 6730 1 1 1 1 29 THR CYS 0.11 6730 1 1 1 1 30 VAL VAL 0.53 6730 1 1 1 1 30 VAL CYS 0.46 6730 1 1 1 1 31 ASN ASN 0.6 6730 1 1 1 1 31 ASN ASP 0.18 6730 1 1 1 1 31 ASN CYS 0.07 6730 1 1 1 1 31 ASN PHE 0.04 6730 1 1 1 1 31 ASN LEU 0.04 6730 1 1 1 1 31 ASN TYR 0.03 6730 1 1 1 1 32 THR THR 0.74 6730 1 1 1 1 32 THR CYS 0.21 6730 1 1 1 1 32 THR SER 0.03 6730 1 1 1 1 34 ASP ASP 0.31 6730 1 1 1 1 34 ASP ASN 0.27 6730 1 1 1 1 34 ASP LEU 0.13 6730 1 1 1 1 34 ASP PHE 0.1 6730 1 1 1 1 34 ASP TYR 0.08 6730 1 1 1 1 34 ASP CYS 0.07 6730 1 1 1 1 34 ASP LYS 0.01 6730 1 1 1 1 35 ALA ALA 0.91 6730 1 1 1 1 35 ALA MET 0.05 6730 1 1 1 1 35 ALA CYS 0.02 6730 1 1 1 1 35 ALA LEU 0.01 6730 1 1 1 1 36 GLY LEU 0.3 6730 1 1 1 1 36 GLY ARG 0.3 6730 1 1 1 1 36 GLY GLY 0.21 6730 1 1 1 1 36 GLY ASP 0.04 6730 1 1 1 1 36 GLY PHE 0.04 6730 1 1 1 1 36 GLY CYS 0.04 6730 1 1 1 1 36 GLY TYR 0.02 6730 1 1 1 1 36 GLY LYS 0.01 6730 1 1 1 1 37 GLU GLU 0.32 6730 1 1 1 1 37 GLU CYS 0.27 6730 1 1 1 1 37 GLU GLN 0.16 6730 1 1 1 1 37 GLU LYS 0.14 6730 1 1 1 1 37 GLU MET 0.07 6730 1 1 1 1 37 GLU ILE 0.01 6730 1 1 1 1 38 GLY GLY 0.64 6730 1 1 1 1 38 GLY LEU 0.19 6730 1 1 1 1 38 GLY ARG 0.06 6730 1 1 1 1 38 GLY CYS 0.04 6730 1 1 1 1 38 GLY PHE 0.02 6730 1 1 1 1 38 GLY ASP 0.01 6730 1 1 1 1 38 GLY TYR 0.01 6730 1 1 1 1 39 GLY ARG 0.31 6730 1 1 1 1 39 GLY LEU 0.3 6730 1 1 1 1 39 GLY GLY 0.19 6730 1 1 1 1 39 GLY ASP 0.04 6730 1 1 1 1 39 GLY PHE 0.04 6730 1 1 1 1 39 GLY CYS 0.04 6730 1 1 1 1 39 GLY TYR 0.02 6730 1 1 1 1 39 GLY LYS 0.01 6730 1 1 1 1 40 LEU LEU 0.58 6730 1 1 1 1 40 LEU CYS 0.17 6730 1 1 1 1 40 LEU GLY 0.16 6730 1 1 1 1 40 LEU ARG 0.06 6730 1 1 1 1 40 LEU ALA 0.01 6730 1 1 1 1 41 SER SER 0.99 6730 1 1 1 1 43 ALA ALA 0.63 6730 1 1 1 1 43 ALA LEU 0.25 6730 1 1 1 1 43 ALA CYS 0.09 6730 1 1 1 1 44 ILE ILE 0.53 6730 1 1 1 1 44 ILE CYS 0.45 6730 1 1 1 1 45 GLU MET 0.45 6730 1 1 1 1 45 GLU CYS 0.3 6730 1 1 1 1 45 GLU GLU 0.12 6730 1 1 1 1 45 GLU GLN 0.11 6730 1 1 1 1 47 PRO CYS 0.49 6730 1 1 1 1 47 PRO PRO 0.45 6730 1 1 1 1 47 PRO GLY 0.04 6730 1 1 1 1 48 SER SER 0.98 6730 1 1 1 1 48 SER THR 0.01 6730 1 1 1 1 51 GLU GLU 0.32 6730 1 1 1 1 51 GLU CYS 0.26 6730 1 1 1 1 51 GLU GLN 0.16 6730 1 1 1 1 51 GLU LYS 0.14 6730 1 1 1 1 51 GLU MET 0.07 6730 1 1 1 1 51 GLU ILE 0.01 6730 1 1 1 1 52 ILE ILE 0.56 6730 1 1 1 1 52 ILE CYS 0.42 6730 1 1 1 1 53 SER SER 0.99 6730 1 1 1 1 54 CYS GLN 0.18 6730 1 1 1 1 54 CYS LYS 0.17 6730 1 1 1 1 54 CYS CYS 0.14 6730 1 1 1 1 54 CYS HIS 0.13 6730 1 1 1 1 54 CYS ARG 0.12 6730 1 1 1 1 54 CYS GLU 0.12 6730 1 1 1 1 54 CYS LEU 0.06 6730 1 1 1 1 54 CYS ILE 0.03 6730 1 1 1 1 54 CYS MET 0.02 6730 1 1 1 1 55 THR THR 0.86 6730 1 1 1 1 55 THR CYS 0.13 6730 1 1 1 1 60 GLY GLY 0.59 6730 1 1 1 1 60 GLY LEU 0.21 6730 1 1 1 1 60 GLY ARG 0.09 6730 1 1 1 1 60 GLY CYS 0.04 6730 1 1 1 1 60 GLY PHE 0.02 6730 1 1 1 1 60 GLY ASP 0.01 6730 1 1 1 1 60 GLY TYR 0.01 6730 1 1 1 1 61 THR THR 0.51 6730 1 1 1 1 61 THR CYS 0.46 6730 1 1 1 1 61 THR ALA 0.01 6730 1 1 1 1 62 CYS HIS 0.18 6730 1 1 1 1 62 CYS ARG 0.16 6730 1 1 1 1 62 CYS GLN 0.16 6730 1 1 1 1 62 CYS GLU 0.15 6730 1 1 1 1 62 CYS CYS 0.13 6730 1 1 1 1 62 CYS LYS 0.1 6730 1 1 1 1 62 CYS MET 0.07 6730 1 1 1 1 63 SER SER 0.99 6730 1 1 1 1 64 VAL CYS 0.52 6730 1 1 1 1 64 VAL VAL 0.47 6730 1 1 1 1 65 SER SER 0.99 6730 1 1 1 1 68 PRO CYS 0.62 6730 1 1 1 1 68 PRO PRO 0.37 6730 1 1 1 1 69 VAL CYS 0.63 6730 1 1 1 1 69 VAL VAL 0.36 6730 1 1 1 1 71 PRO PRO 0.62 6730 1 1 1 1 71 PRO CYS 0.37 6730 1 1 1 1 72 GLY ARG 0.36 6730 1 1 1 1 72 GLY LEU 0.3 6730 1 1 1 1 72 GLY GLY 0.13 6730 1 1 1 1 72 GLY ASP 0.05 6730 1 1 1 1 72 GLY PHE 0.05 6730 1 1 1 1 72 GLY CYS 0.04 6730 1 1 1 1 72 GLY TYR 0.02 6730 1 1 1 1 72 GLY LYS 0.01 6730 1 1 1 1 73 ASP ASP 0.35 6730 1 1 1 1 73 ASP ASN 0.28 6730 1 1 1 1 73 ASP LEU 0.15 6730 1 1 1 1 73 ASP PHE 0.06 6730 1 1 1 1 73 ASP CYS 0.05 6730 1 1 1 1 73 ASP TYR 0.05 6730 1 1 1 1 73 ASP LYS 0.02 6730 1 1 1 1 75 SER SER 0.99 6730 1 1 1 1 76 ILE ILE 0.63 6730 1 1 1 1 76 ILE CYS 0.36 6730 1 1 1 1 77 LEU CYS 0.44 6730 1 1 1 1 77 LEU ARG 0.33 6730 1 1 1 1 77 LEU LEU 0.14 6730 1 1 1 1 77 LEU LYS 0.05 6730 1 1 1 1 77 LEU ALA 0.01 6730 1 1 1 1 81 ASN ASN 0.27 6730 1 1 1 1 81 ASN CYS 0.23 6730 1 1 1 1 81 ASN GLU 0.16 6730 1 1 1 1 81 ASN MET 0.13 6730 1 1 1 1 81 ASN TYR 0.06 6730 1 1 1 1 81 ASN PHE 0.04 6730 1 1 1 1 81 ASN LYS 0.03 6730 1 1 1 1 81 ASN GLN 0.01 6730 1 1 1 1 81 ASN ASP 0.01 6730 1 1 1 1 82 GLU CYS 0.5 6730 1 1 1 1 82 GLU LYS 0.16 6730 1 1 1 1 82 GLU GLN 0.11 6730 1 1 1 1 82 GLU GLU 0.11 6730 1 1 1 1 82 GLU ILE 0.06 6730 1 1 1 1 82 GLU ARG 0.03 6730 1 1 1 1 83 GLN MET 0.3 6730 1 1 1 1 83 GLN CYS 0.27 6730 1 1 1 1 83 GLN GLN 0.22 6730 1 1 1 1 83 GLN LYS 0.17 6730 1 1 1 1 83 GLN ARG 0.01 6730 1 1 1 1 86 PRO PRO 0.8 6730 1 1 1 1 86 PRO CYS 0.18 6730 1 1 1 1 87 GLY GLY 0.31 6730 1 1 1 1 87 GLY LEU 0.29 6730 1 1 1 1 87 GLY ARG 0.23 6730 1 1 1 1 87 GLY CYS 0.04 6730 1 1 1 1 87 GLY PHE 0.04 6730 1 1 1 1 87 GLY ASP 0.03 6730 1 1 1 1 87 GLY TYR 0.02 6730 1 1 1 1 89 PRO CYS 0.93 6730 1 1 1 1 89 PRO PRO 0.05 6730 1 1 1 1 91 THR THR 0.89 6730 1 1 1 1 91 THR CYS 0.1 6730 1 1 1 1 92 ALA ALA 0.91 6730 1 1 1 1 92 ALA CYS 0.03 6730 1 1 1 1 92 ALA GLY 0.02 6730 1 1 1 1 92 ALA LEU 0.01 6730 1 1 1 1 93 ARG CYS 0.95 6730 1 1 1 1 93 ARG GLY 0.04 6730 1 1 1 1 94 VAL VAL 0.5 6730 1 1 1 1 94 VAL CYS 0.49 6730 1 1 1 1 95 THR THR 0.83 6730 1 1 1 1 95 THR CYS 0.16 6730 1 1 1 1 96 GLY GLY 0.52 6730 1 1 1 1 96 GLY LEU 0.23 6730 1 1 1 1 96 GLY ARG 0.11 6730 1 1 1 1 96 GLY CYS 0.04 6730 1 1 1 1 96 GLY PHE 0.02 6730 1 1 1 1 96 GLY ASP 0.02 6730 1 1 1 1 96 GLY TYR 0.01 6730 1 1 1 1 97 ASP ASP 0.36 6730 1 1 1 1 97 ASP LEU 0.19 6730 1 1 1 1 97 ASP ASN 0.19 6730 1 1 1 1 97 ASP PHE 0.06 6730 1 1 1 1 97 ASP LYS 0.05 6730 1 1 1 1 97 ASP CYS 0.05 6730 1 1 1 1 97 ASP TYR 0.05 6730 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6730 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 6730 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6730 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6730 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6730 _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_