data_18162 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18162 _Entry.PDB_ID 2LNE save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18162 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.284 0.046 18162 2 1 1 . 1 1 2 2 LEU H H 2 8.260 8.260 7.944 0.316 18162 3 1 1 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.500 0.130 18162 4 1 1 . 1 1 3 3 TYR H H 3 8.270 8.270 8.390 -0.120 18162 5 1 1 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.486 -0.226 18162 6 1 1 . 1 1 4 4 GLU H H 4 8.330 8.330 8.744 -0.414 18162 7 1 1 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.659 0.031 18162 8 1 1 . 1 1 5 5 ASN H H 5 8.480 8.480 8.480 -0.000 18162 9 1 1 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.584 0.066 18162 10 1 1 . 1 1 6 6 LYS H H 6 8.130 8.130 8.451 -0.321 18162 11 1 1 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.559 -0.179 18162 12 1 1 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.387 -0.077 18162 13 1 1 . 1 1 8 8 ARG H H 8 8.490 8.490 8.024 0.466 18162 14 1 1 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.532 0.118 18162 15 1 1 . 1 1 9 9 ARG H H 9 8.330 8.330 8.433 -0.103 18162 16 1 1 . 1 1 10 10 PRO HA H 10 4.420 4.420 3.988 0.432 18162 17 1 1 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.583 0.047 18162 18 1 1 . 1 1 11 11 TYR H H 11 8.040 8.040 8.005 0.035 18162 19 1 1 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.190 0.000 18162 20 1 1 . 1 1 12 12 ILE H H 12 7.940 7.940 7.708 0.232 18162 21 1 2 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.123 0.207 18162 22 1 2 . 1 1 2 2 LEU H H 2 8.260 8.260 8.447 -0.187 18162 23 1 2 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.463 0.167 18162 24 1 2 . 1 1 3 3 TYR H H 3 8.270 8.270 7.825 0.445 18162 25 1 2 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.288 -0.028 18162 26 1 2 . 1 1 4 4 GLU H H 4 8.330 8.330 8.497 -0.167 18162 27 1 2 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.721 -0.031 18162 28 1 2 . 1 1 5 5 ASN H H 5 8.480 8.480 8.380 0.100 18162 29 1 2 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.470 0.180 18162 30 1 2 . 1 1 6 6 LYS H H 6 8.130 8.130 8.541 -0.411 18162 31 1 2 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.650 -0.270 18162 32 1 2 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.404 -0.094 18162 33 1 2 . 1 1 8 8 ARG H H 8 8.490 8.490 8.255 0.235 18162 34 1 2 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.680 -0.030 18162 35 1 2 . 1 1 9 9 ARG H H 9 8.330 8.330 8.453 -0.123 18162 36 1 2 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.346 0.074 18162 37 1 2 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.082 0.548 18162 38 1 2 . 1 1 11 11 TYR H H 11 8.040 8.040 7.998 0.042 18162 39 1 2 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.331 -0.141 18162 40 1 2 . 1 1 12 12 ILE H H 12 7.940 7.940 7.474 0.466 18162 41 1 3 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.465 -0.135 18162 42 1 3 . 1 1 2 2 LEU H H 2 8.260 8.260 8.199 0.061 18162 43 1 3 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.606 0.024 18162 44 1 3 . 1 1 3 3 TYR H H 3 8.270 8.270 8.188 0.082 18162 45 1 3 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.156 0.104 18162 46 1 3 . 1 1 4 4 GLU H H 4 8.330 8.330 8.659 -0.329 18162 47 1 3 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.707 -0.017 18162 48 1 3 . 1 1 5 5 ASN H H 5 8.480 8.480 8.482 -0.002 18162 49 1 3 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.267 0.383 18162 50 1 3 . 1 1 6 6 LYS H H 6 8.130 8.130 8.542 -0.412 18162 51 1 3 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.546 -0.166 18162 52 1 3 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.364 -0.054 18162 53 1 3 . 1 1 8 8 ARG H H 8 8.490 8.490 8.205 0.285 18162 54 1 3 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.632 0.018 18162 55 1 3 . 1 1 9 9 ARG H H 9 8.330 8.330 8.387 -0.057 18162 56 1 3 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.402 0.018 18162 57 1 3 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.158 0.472 18162 58 1 3 . 1 1 11 11 TYR H H 11 8.040 8.040 7.874 0.166 18162 59 1 3 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.963 0.227 18162 60 1 3 . 1 1 12 12 ILE H H 12 7.940 7.940 8.095 -0.155 18162 61 1 4 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.544 -0.214 18162 62 1 4 . 1 1 2 2 LEU H H 2 8.260 8.260 7.607 0.653 18162 63 1 4 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.435 0.195 18162 64 1 4 . 1 1 3 3 TYR H H 3 8.270 8.270 8.956 -0.686 18162 65 1 4 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.106 0.154 18162 66 1 4 . 1 1 4 4 GLU H H 4 8.330 8.330 7.892 0.438 18162 67 1 4 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.754 -0.064 18162 68 1 4 . 1 1 5 5 ASN H H 5 8.480 8.480 8.392 0.088 18162 69 1 4 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.644 0.006 18162 70 1 4 . 1 1 6 6 LYS H H 6 8.130 8.130 8.273 -0.143 18162 71 1 4 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.675 -0.295 18162 72 1 4 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.434 -0.124 18162 73 1 4 . 1 1 8 8 ARG H H 8 8.490 8.490 8.031 0.459 18162 74 1 4 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.335 0.315 18162 75 1 4 . 1 1 9 9 ARG H H 9 8.330 8.330 8.488 -0.158 18162 76 1 4 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.362 0.058 18162 77 1 4 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.221 0.409 18162 78 1 4 . 1 1 11 11 TYR H H 11 8.040 8.040 8.389 -0.349 18162 79 1 4 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.946 0.244 18162 80 1 4 . 1 1 12 12 ILE H H 12 7.940 7.940 7.591 0.349 18162 81 1 5 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.426 -0.096 18162 82 1 5 . 1 1 2 2 LEU H H 2 8.260 8.260 7.818 0.442 18162 83 1 5 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.452 0.178 18162 84 1 5 . 1 1 3 3 TYR H H 3 8.270 8.270 8.438 -0.168 18162 85 1 5 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.071 0.189 18162 86 1 5 . 1 1 4 4 GLU H H 4 8.330 8.330 8.206 0.124 18162 87 1 5 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.829 -0.139 18162 88 1 5 . 1 1 5 5 ASN H H 5 8.480 8.480 7.866 0.614 18162 89 1 5 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.586 0.064 18162 90 1 5 . 1 1 6 6 LYS H H 6 8.130 8.130 8.520 -0.390 18162 91 1 5 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.500 -0.120 18162 92 1 5 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.379 -0.069 18162 93 1 5 . 1 1 8 8 ARG H H 8 8.490 8.490 8.061 0.429 18162 94 1 5 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.443 0.207 18162 95 1 5 . 1 1 9 9 ARG H H 9 8.330 8.330 8.439 -0.109 18162 96 1 5 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.284 0.136 18162 97 1 5 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.477 0.153 18162 98 1 5 . 1 1 11 11 TYR H H 11 8.040 8.040 8.415 -0.375 18162 99 1 5 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.867 0.323 18162 100 1 5 . 1 1 12 12 ILE H H 12 7.940 7.940 8.536 -0.596 18162 101 1 6 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.103 0.227 18162 102 1 6 . 1 1 2 2 LEU H H 2 8.260 8.260 8.117 0.143 18162 103 1 6 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.504 0.126 18162 104 1 6 . 1 1 3 3 TYR H H 3 8.270 8.270 7.825 0.445 18162 105 1 6 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.305 -0.045 18162 106 1 6 . 1 1 4 4 GLU H H 4 8.330 8.330 8.463 -0.133 18162 107 1 6 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.790 -0.100 18162 108 1 6 . 1 1 5 5 ASN H H 5 8.480 8.480 8.444 0.036 18162 109 1 6 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.454 0.196 18162 110 1 6 . 1 1 6 6 LYS H H 6 8.130 8.130 8.551 -0.421 18162 111 1 6 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.605 -0.225 18162 112 1 6 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.371 -0.061 18162 113 1 6 . 1 1 8 8 ARG H H 8 8.490 8.490 8.321 0.169 18162 114 1 6 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.584 0.066 18162 115 1 6 . 1 1 9 9 ARG H H 9 8.330 8.330 8.140 0.190 18162 116 1 6 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.347 0.073 18162 117 1 6 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.363 0.267 18162 118 1 6 . 1 1 11 11 TYR H H 11 8.040 8.040 8.494 -0.454 18162 119 1 6 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.301 -0.111 18162 120 1 6 . 1 1 12 12 ILE H H 12 7.940 7.940 8.230 -0.290 18162 121 1 7 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.130 0.200 18162 122 1 7 . 1 1 2 2 LEU H H 2 8.260 8.260 8.510 -0.250 18162 123 1 7 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.481 0.149 18162 124 1 7 . 1 1 3 3 TYR H H 3 8.270 8.270 7.888 0.382 18162 125 1 7 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.318 -0.058 18162 126 1 7 . 1 1 4 4 GLU H H 4 8.330 8.330 8.494 -0.164 18162 127 1 7 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.814 -0.124 18162 128 1 7 . 1 1 5 5 ASN H H 5 8.480 8.480 8.517 -0.037 18162 129 1 7 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.633 0.017 18162 130 1 7 . 1 1 6 6 LYS H H 6 8.130 8.130 8.459 -0.329 18162 131 1 7 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.576 -0.196 18162 132 1 7 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.279 0.031 18162 133 1 7 . 1 1 8 8 ARG H H 8 8.490 8.490 8.106 0.384 18162 134 1 7 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.507 0.143 18162 135 1 7 . 1 1 9 9 ARG H H 9 8.330 8.330 8.447 -0.117 18162 136 1 7 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.440 -0.020 18162 137 1 7 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.216 0.414 18162 138 1 7 . 1 1 11 11 TYR H H 11 8.040 8.040 7.530 0.510 18162 139 1 7 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.975 0.215 18162 140 1 7 . 1 1 12 12 ILE H H 12 7.940 7.940 8.276 -0.336 18162 141 1 8 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.276 0.054 18162 142 1 8 . 1 1 2 2 LEU H H 2 8.260 8.260 7.709 0.551 18162 143 1 8 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.290 0.340 18162 144 1 8 . 1 1 3 3 TYR H H 3 8.270 8.270 8.292 -0.022 18162 145 1 8 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.130 0.130 18162 146 1 8 . 1 1 4 4 GLU H H 4 8.330 8.330 8.812 -0.482 18162 147 1 8 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.798 -0.108 18162 148 1 8 . 1 1 5 5 ASN H H 5 8.480 8.480 7.844 0.636 18162 149 1 8 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.650 -0.000 18162 150 1 8 . 1 1 6 6 LYS H H 6 8.130 8.130 8.430 -0.300 18162 151 1 8 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.531 -0.151 18162 152 1 8 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.415 -0.105 18162 153 1 8 . 1 1 8 8 ARG H H 8 8.490 8.490 8.312 0.178 18162 154 1 8 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.654 -0.004 18162 155 1 8 . 1 1 9 9 ARG H H 9 8.330 8.330 8.460 -0.130 18162 156 1 8 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.388 0.032 18162 157 1 8 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.088 0.542 18162 158 1 8 . 1 1 11 11 TYR H H 11 8.040 8.040 8.081 -0.041 18162 159 1 8 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.217 -0.027 18162 160 1 8 . 1 1 12 12 ILE H H 12 7.940 7.940 7.777 0.163 18162 161 1 9 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.124 0.206 18162 162 1 9 . 1 1 2 2 LEU H H 2 8.260 8.260 8.476 -0.216 18162 163 1 9 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.509 0.121 18162 164 1 9 . 1 1 3 3 TYR H H 3 8.270 8.270 7.869 0.401 18162 165 1 9 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.371 -0.111 18162 166 1 9 . 1 1 4 4 GLU H H 4 8.330 8.330 8.602 -0.272 18162 167 1 9 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.748 -0.058 18162 168 1 9 . 1 1 5 5 ASN H H 5 8.480 8.480 8.632 -0.152 18162 169 1 9 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.316 0.334 18162 170 1 9 . 1 1 6 6 LYS H H 6 8.130 8.130 8.423 -0.293 18162 171 1 9 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.610 -0.230 18162 172 1 9 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.357 -0.047 18162 173 1 9 . 1 1 8 8 ARG H H 8 8.490 8.490 8.190 0.300 18162 174 1 9 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.429 0.221 18162 175 1 9 . 1 1 9 9 ARG H H 9 8.330 8.330 8.183 0.147 18162 176 1 9 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.353 0.067 18162 177 1 9 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.147 0.483 18162 178 1 9 . 1 1 11 11 TYR H H 11 8.040 8.040 7.517 0.523 18162 179 1 9 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.395 -0.205 18162 180 1 9 . 1 1 12 12 ILE H H 12 7.940 7.940 7.389 0.551 18162 181 1 10 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.378 -0.048 18162 182 1 10 . 1 1 2 2 LEU H H 2 8.260 8.260 8.090 0.170 18162 183 1 10 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.537 0.093 18162 184 1 10 . 1 1 3 3 TYR H H 3 8.270 8.270 8.262 0.008 18162 185 1 10 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.558 -0.298 18162 186 1 10 . 1 1 4 4 GLU H H 4 8.330 8.330 8.699 -0.369 18162 187 1 10 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.706 -0.016 18162 188 1 10 . 1 1 5 5 ASN H H 5 8.480 8.480 8.499 -0.019 18162 189 1 10 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.675 -0.025 18162 190 1 10 . 1 1 6 6 LYS H H 6 8.130 8.130 8.494 -0.364 18162 191 1 10 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.591 -0.211 18162 192 1 10 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.387 -0.077 18162 193 1 10 . 1 1 8 8 ARG H H 8 8.490 8.490 8.183 0.307 18162 194 1 10 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.527 0.123 18162 195 1 10 . 1 1 9 9 ARG H H 9 8.330 8.330 8.441 -0.111 18162 196 1 10 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.140 0.280 18162 197 1 10 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.694 -0.064 18162 198 1 10 . 1 1 11 11 TYR H H 11 8.040 8.040 7.995 0.045 18162 199 1 10 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.533 -0.343 18162 200 1 10 . 1 1 12 12 ILE H H 12 7.940 7.940 8.440 -0.500 18162 201 1 11 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.108 0.222 18162 202 1 11 . 1 1 2 2 LEU H H 2 8.260 8.260 8.198 0.062 18162 203 1 11 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.325 0.305 18162 204 1 11 . 1 1 3 3 TYR H H 3 8.270 8.270 7.832 0.438 18162 205 1 11 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.295 -0.035 18162 206 1 11 . 1 1 4 4 GLU H H 4 8.330 8.330 7.985 0.345 18162 207 1 11 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.864 -0.174 18162 208 1 11 . 1 1 5 5 ASN H H 5 8.480 8.480 8.436 0.044 18162 209 1 11 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.307 0.343 18162 210 1 11 . 1 1 6 6 LYS H H 6 8.130 8.130 8.450 -0.320 18162 211 1 11 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.570 -0.190 18162 212 1 11 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.414 -0.104 18162 213 1 11 . 1 1 8 8 ARG H H 8 8.490 8.490 8.096 0.394 18162 214 1 11 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.319 0.331 18162 215 1 11 . 1 1 9 9 ARG H H 9 8.330 8.330 8.514 -0.184 18162 216 1 11 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.416 0.004 18162 217 1 11 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.210 0.420 18162 218 1 11 . 1 1 11 11 TYR H H 11 8.040 8.040 8.339 -0.299 18162 219 1 11 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.031 0.159 18162 220 1 11 . 1 1 12 12 ILE H H 12 7.940 7.940 7.659 0.281 18162 221 1 12 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.641 -0.311 18162 222 1 12 . 1 1 2 2 LEU H H 2 8.260 8.260 7.806 0.454 18162 223 1 12 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.493 0.137 18162 224 1 12 . 1 1 3 3 TYR H H 3 8.270 8.270 8.328 -0.058 18162 225 1 12 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.119 0.141 18162 226 1 12 . 1 1 4 4 GLU H H 4 8.330 8.330 7.826 0.504 18162 227 1 12 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.738 -0.048 18162 228 1 12 . 1 1 5 5 ASN H H 5 8.480 8.480 8.469 0.011 18162 229 1 12 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.255 0.395 18162 230 1 12 . 1 1 6 6 LYS H H 6 8.130 8.130 8.505 -0.375 18162 231 1 12 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.583 -0.203 18162 232 1 12 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.430 -0.120 18162 233 1 12 . 1 1 8 8 ARG H H 8 8.490 8.490 8.110 0.380 18162 234 1 12 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.566 0.084 18162 235 1 12 . 1 1 9 9 ARG H H 9 8.330 8.330 8.433 -0.103 18162 236 1 12 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.459 -0.039 18162 237 1 12 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.493 0.137 18162 238 1 12 . 1 1 11 11 TYR H H 11 8.040 8.040 8.153 -0.113 18162 239 1 12 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.700 -0.510 18162 240 1 12 . 1 1 12 12 ILE H H 12 7.940 7.940 8.549 -0.609 18162 241 1 13 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.065 0.265 18162 242 1 13 . 1 1 2 2 LEU H H 2 8.260 8.260 8.150 0.110 18162 243 1 13 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.358 0.272 18162 244 1 13 . 1 1 3 3 TYR H H 3 8.270 8.270 7.888 0.382 18162 245 1 13 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.398 -0.138 18162 246 1 13 . 1 1 4 4 GLU H H 4 8.330 8.330 8.163 0.167 18162 247 1 13 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.819 -0.129 18162 248 1 13 . 1 1 5 5 ASN H H 5 8.480 8.480 8.523 -0.043 18162 249 1 13 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.482 0.168 18162 250 1 13 . 1 1 6 6 LYS H H 6 8.130 8.130 8.478 -0.348 18162 251 1 13 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.597 -0.217 18162 252 1 13 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.301 0.009 18162 253 1 13 . 1 1 8 8 ARG H H 8 8.490 8.490 8.370 0.120 18162 254 1 13 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.642 0.008 18162 255 1 13 . 1 1 9 9 ARG H H 9 8.330 8.330 8.481 -0.151 18162 256 1 13 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.232 0.188 18162 257 1 13 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.328 0.302 18162 258 1 13 . 1 1 11 11 TYR H H 11 8.040 8.040 7.696 0.344 18162 259 1 13 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.889 0.300 18162 260 1 13 . 1 1 12 12 ILE H H 12 7.940 7.940 8.065 -0.125 18162 261 1 14 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.121 0.209 18162 262 1 14 . 1 1 2 2 LEU H H 2 8.260 8.260 8.237 0.023 18162 263 1 14 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.516 0.114 18162 264 1 14 . 1 1 3 3 TYR H H 3 8.270 8.270 7.742 0.528 18162 265 1 14 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.184 0.076 18162 266 1 14 . 1 1 4 4 GLU H H 4 8.330 8.330 8.496 -0.166 18162 267 1 14 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.644 0.046 18162 268 1 14 . 1 1 5 5 ASN H H 5 8.480 8.480 8.444 0.036 18162 269 1 14 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.409 0.241 18162 270 1 14 . 1 1 6 6 LYS H H 6 8.130 8.130 8.363 -0.233 18162 271 1 14 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.581 -0.201 18162 272 1 14 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.295 0.015 18162 273 1 14 . 1 1 8 8 ARG H H 8 8.490 8.490 8.007 0.483 18162 274 1 14 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.650 0.000 18162 275 1 14 . 1 1 9 9 ARG H H 9 8.330 8.330 8.249 0.081 18162 276 1 14 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.251 0.169 18162 277 1 14 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.317 0.313 18162 278 1 14 . 1 1 11 11 TYR H H 11 8.040 8.040 8.135 -0.095 18162 279 1 14 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.009 0.181 18162 280 1 14 . 1 1 12 12 ILE H H 12 7.940 7.940 7.884 0.056 18162 281 1 15 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.226 0.104 18162 282 1 15 . 1 1 2 2 LEU H H 2 8.260 8.260 8.409 -0.149 18162 283 1 15 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.432 0.198 18162 284 1 15 . 1 1 3 3 TYR H H 3 8.270 8.270 7.771 0.499 18162 285 1 15 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.157 0.103 18162 286 1 15 . 1 1 4 4 GLU H H 4 8.330 8.330 7.789 0.541 18162 287 1 15 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.793 -0.103 18162 288 1 15 . 1 1 5 5 ASN H H 5 8.480 8.480 8.352 0.128 18162 289 1 15 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.535 0.115 18162 290 1 15 . 1 1 6 6 LYS H H 6 8.130 8.130 8.078 0.052 18162 291 1 15 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.587 -0.207 18162 292 1 15 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.320 -0.010 18162 293 1 15 . 1 1 8 8 ARG H H 8 8.490 8.490 8.303 0.187 18162 294 1 15 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.587 0.063 18162 295 1 15 . 1 1 9 9 ARG H H 9 8.330 8.330 8.274 0.056 18162 296 1 15 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.185 0.235 18162 297 1 15 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.449 0.181 18162 298 1 15 . 1 1 11 11 TYR H H 11 8.040 8.040 8.225 -0.185 18162 299 1 15 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.390 -0.200 18162 300 1 15 . 1 1 12 12 ILE H H 12 7.940 7.940 8.162 -0.222 18162 301 1 16 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.102 0.228 18162 302 1 16 . 1 1 2 2 LEU H H 2 8.260 8.260 8.310 -0.050 18162 303 1 16 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.358 0.272 18162 304 1 16 . 1 1 3 3 TYR H H 3 8.270 8.270 7.884 0.386 18162 305 1 16 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.201 0.059 18162 306 1 16 . 1 1 4 4 GLU H H 4 8.330 8.330 8.826 -0.496 18162 307 1 16 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.858 -0.168 18162 308 1 16 . 1 1 5 5 ASN H H 5 8.480 8.480 7.945 0.535 18162 309 1 16 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.665 -0.015 18162 310 1 16 . 1 1 6 6 LYS H H 6 8.130 8.130 8.306 -0.176 18162 311 1 16 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.576 -0.196 18162 312 1 16 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.438 -0.128 18162 313 1 16 . 1 1 8 8 ARG H H 8 8.490 8.490 8.181 0.309 18162 314 1 16 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.630 0.020 18162 315 1 16 . 1 1 9 9 ARG H H 9 8.330 8.330 8.394 -0.064 18162 316 1 16 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.312 0.107 18162 317 1 16 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.079 0.551 18162 318 1 16 . 1 1 11 11 TYR H H 11 8.040 8.040 8.351 -0.311 18162 319 1 16 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.149 0.041 18162 320 1 16 . 1 1 12 12 ILE H H 12 7.940 7.940 7.975 -0.035 18162 321 1 17 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.309 0.021 18162 322 1 17 . 1 1 2 2 LEU H H 2 8.260 8.260 7.945 0.315 18162 323 1 17 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.273 0.357 18162 324 1 17 . 1 1 3 3 TYR H H 3 8.270 8.270 8.281 -0.011 18162 325 1 17 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.362 -0.102 18162 326 1 17 . 1 1 4 4 GLU H H 4 8.330 8.330 8.219 0.111 18162 327 1 17 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.579 0.111 18162 328 1 17 . 1 1 5 5 ASN H H 5 8.480 8.480 8.411 0.069 18162 329 1 17 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.251 0.399 18162 330 1 17 . 1 1 6 6 LYS H H 6 8.130 8.130 8.471 -0.341 18162 331 1 17 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.533 -0.153 18162 332 1 17 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.419 -0.109 18162 333 1 17 . 1 1 8 8 ARG H H 8 8.490 8.490 7.983 0.507 18162 334 1 17 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.380 0.270 18162 335 1 17 . 1 1 9 9 ARG H H 9 8.330 8.330 8.426 -0.096 18162 336 1 17 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.070 0.350 18162 337 1 17 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.712 -0.082 18162 338 1 17 . 1 1 11 11 TYR H H 11 8.040 8.040 8.032 0.008 18162 339 1 17 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.164 0.026 18162 340 1 17 . 1 1 12 12 ILE H H 12 7.940 7.940 7.493 0.447 18162 341 1 18 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.412 -0.082 18162 342 1 18 . 1 1 2 2 LEU H H 2 8.260 8.260 8.153 0.107 18162 343 1 18 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.505 0.125 18162 344 1 18 . 1 1 3 3 TYR H H 3 8.270 8.270 8.298 -0.028 18162 345 1 18 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.272 -0.012 18162 346 1 18 . 1 1 4 4 GLU H H 4 8.330 8.330 8.587 -0.257 18162 347 1 18 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.875 -0.185 18162 348 1 18 . 1 1 5 5 ASN H H 5 8.480 8.480 8.575 -0.095 18162 349 1 18 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.363 0.287 18162 350 1 18 . 1 1 6 6 LYS H H 6 8.130 8.130 8.450 -0.320 18162 351 1 18 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.657 -0.277 18162 352 1 18 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.343 -0.033 18162 353 1 18 . 1 1 8 8 ARG H H 8 8.490 8.490 8.474 0.016 18162 354 1 18 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.640 0.010 18162 355 1 18 . 1 1 9 9 ARG H H 9 8.330 8.330 8.146 0.184 18162 356 1 18 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.369 0.051 18162 357 1 18 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.163 0.467 18162 358 1 18 . 1 1 11 11 TYR H H 11 8.040 8.040 8.366 -0.326 18162 359 1 18 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.979 0.211 18162 360 1 18 . 1 1 12 12 ILE H H 12 7.940 7.940 7.806 0.134 18162 361 1 19 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.354 -0.024 18162 362 1 19 . 1 1 2 2 LEU H H 2 8.260 8.260 7.814 0.446 18162 363 1 19 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.437 0.193 18162 364 1 19 . 1 1 3 3 TYR H H 3 8.270 8.270 8.588 -0.318 18162 365 1 19 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.166 0.094 18162 366 1 19 . 1 1 4 4 GLU H H 4 8.330 8.330 8.785 -0.455 18162 367 1 19 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.767 -0.077 18162 368 1 19 . 1 1 5 5 ASN H H 5 8.480 8.480 8.429 0.051 18162 369 1 19 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.500 0.150 18162 370 1 19 . 1 1 6 6 LYS H H 6 8.130 8.130 8.373 -0.243 18162 371 1 19 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.533 -0.153 18162 372 1 19 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.316 -0.006 18162 373 1 19 . 1 1 8 8 ARG H H 8 8.490 8.490 8.121 0.369 18162 374 1 19 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.636 0.014 18162 375 1 19 . 1 1 9 9 ARG H H 9 8.330 8.330 8.374 -0.044 18162 376 1 19 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.349 0.071 18162 377 1 19 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.470 0.160 18162 378 1 19 . 1 1 11 11 TYR H H 11 8.040 8.040 8.142 -0.102 18162 379 1 19 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.143 0.047 18162 380 1 19 . 1 1 12 12 ILE H H 12 7.940 7.940 7.654 0.286 18162 381 1 20 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.375 -0.045 18162 382 1 20 . 1 1 2 2 LEU H H 2 8.260 8.260 7.997 0.263 18162 383 1 20 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.368 0.262 18162 384 1 20 . 1 1 3 3 TYR H H 3 8.270 8.270 8.519 -0.249 18162 385 1 20 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.166 0.094 18162 386 1 20 . 1 1 4 4 GLU H H 4 8.330 8.330 8.834 -0.504 18162 387 1 20 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.775 -0.085 18162 388 1 20 . 1 1 5 5 ASN H H 5 8.480 8.480 8.025 0.455 18162 389 1 20 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.542 0.108 18162 390 1 20 . 1 1 6 6 LYS H H 6 8.130 8.130 8.531 -0.401 18162 391 1 20 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.606 -0.226 18162 392 1 20 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.344 -0.034 18162 393 1 20 . 1 1 8 8 ARG H H 8 8.490 8.490 8.443 0.047 18162 394 1 20 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.613 0.037 18162 395 1 20 . 1 1 9 9 ARG H H 9 8.330 8.330 8.140 0.190 18162 396 1 20 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.144 0.276 18162 397 1 20 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.274 0.356 18162 398 1 20 . 1 1 11 11 TYR H H 11 8.040 8.040 8.325 -0.285 18162 399 1 20 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.860 0.330 18162 400 1 20 . 1 1 12 12 ILE H H 12 7.940 7.940 7.758 0.182 18162 401 1 21 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.468 -0.138 18162 402 1 21 . 1 1 2 2 LEU H H 2 8.260 8.260 7.946 0.314 18162 403 1 21 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.467 0.163 18162 404 1 21 . 1 1 3 3 TYR H H 3 8.270 8.270 8.583 -0.313 18162 405 1 21 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.293 -0.033 18162 406 1 21 . 1 1 4 4 GLU H H 4 8.330 8.330 8.462 -0.132 18162 407 1 21 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.760 -0.070 18162 408 1 21 . 1 1 5 5 ASN H H 5 8.480 8.480 8.488 -0.008 18162 409 1 21 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.519 0.131 18162 410 1 21 . 1 1 6 6 LYS H H 6 8.130 8.130 8.407 -0.277 18162 411 1 21 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.570 -0.190 18162 412 1 21 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.291 0.019 18162 413 1 21 . 1 1 8 8 ARG H H 8 8.490 8.490 8.245 0.245 18162 414 1 21 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.595 0.055 18162 415 1 21 . 1 1 9 9 ARG H H 9 8.330 8.330 8.173 0.157 18162 416 1 21 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.413 0.007 18162 417 1 21 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.210 0.420 18162 418 1 21 . 1 1 11 11 TYR H H 11 8.040 8.040 8.378 -0.338 18162 419 1 21 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.014 0.176 18162 420 1 21 . 1 1 12 12 ILE H H 12 7.940 7.940 7.578 0.362 18162 421 1 22 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.368 -0.038 18162 422 1 22 . 1 1 2 2 LEU H H 2 8.260 8.260 8.174 0.086 18162 423 1 22 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.208 0.422 18162 424 1 22 . 1 1 3 3 TYR H H 3 8.270 8.270 8.591 -0.321 18162 425 1 22 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.276 -0.016 18162 426 1 22 . 1 1 4 4 GLU H H 4 8.330 8.330 8.324 0.006 18162 427 1 22 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.877 -0.187 18162 428 1 22 . 1 1 5 5 ASN H H 5 8.480 8.480 8.383 0.097 18162 429 1 22 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.552 0.098 18162 430 1 22 . 1 1 6 6 LYS H H 6 8.130 8.130 8.533 -0.403 18162 431 1 22 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.600 -0.220 18162 432 1 22 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.260 0.050 18162 433 1 22 . 1 1 8 8 ARG H H 8 8.490 8.490 8.125 0.365 18162 434 1 22 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.558 0.092 18162 435 1 22 . 1 1 9 9 ARG H H 9 8.330 8.330 8.147 0.183 18162 436 1 22 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.165 0.255 18162 437 1 22 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.272 0.358 18162 438 1 22 . 1 1 11 11 TYR H H 11 8.040 8.040 8.127 -0.087 18162 439 1 22 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.440 -0.250 18162 440 1 22 . 1 1 12 12 ILE H H 12 7.940 7.940 8.223 -0.283 18162 441 1 23 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.146 0.184 18162 442 1 23 . 1 1 2 2 LEU H H 2 8.260 8.260 8.115 0.145 18162 443 1 23 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.495 0.135 18162 444 1 23 . 1 1 3 3 TYR H H 3 8.270 8.270 7.855 0.415 18162 445 1 23 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.259 0.001 18162 446 1 23 . 1 1 4 4 GLU H H 4 8.330 8.330 8.500 -0.170 18162 447 1 23 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.700 -0.010 18162 448 1 23 . 1 1 5 5 ASN H H 5 8.480 8.480 8.376 0.104 18162 449 1 23 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.440 0.210 18162 450 1 23 . 1 1 6 6 LYS H H 6 8.130 8.130 8.578 -0.448 18162 451 1 23 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.689 -0.309 18162 452 1 23 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.412 -0.102 18162 453 1 23 . 1 1 8 8 ARG H H 8 8.490 8.490 8.209 0.281 18162 454 1 23 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.580 0.070 18162 455 1 23 . 1 1 9 9 ARG H H 9 8.330 8.330 8.325 0.005 18162 456 1 23 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.076 0.344 18162 457 1 23 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.509 0.121 18162 458 1 23 . 1 1 11 11 TYR H H 11 8.040 8.040 8.135 -0.095 18162 459 1 23 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.074 0.116 18162 460 1 23 . 1 1 12 12 ILE H H 12 7.940 7.940 7.836 0.104 18162 461 1 24 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.477 -0.147 18162 462 1 24 . 1 1 2 2 LEU H H 2 8.260 8.260 8.301 -0.041 18162 463 1 24 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.535 0.095 18162 464 1 24 . 1 1 3 3 TYR H H 3 8.270 8.270 8.418 -0.148 18162 465 1 24 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.167 0.093 18162 466 1 24 . 1 1 4 4 GLU H H 4 8.330 8.330 8.826 -0.496 18162 467 1 24 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.683 0.007 18162 468 1 24 . 1 1 5 5 ASN H H 5 8.480 8.480 8.073 0.406 18162 469 1 24 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.457 0.193 18162 470 1 24 . 1 1 6 6 LYS H H 6 8.130 8.130 8.311 -0.181 18162 471 1 24 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.598 -0.218 18162 472 1 24 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.287 0.023 18162 473 1 24 . 1 1 8 8 ARG H H 8 8.490 8.490 8.180 0.310 18162 474 1 24 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.410 0.240 18162 475 1 24 . 1 1 9 9 ARG H H 9 8.330 8.330 8.172 0.158 18162 476 1 24 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.384 0.036 18162 477 1 24 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.354 0.276 18162 478 1 24 . 1 1 11 11 TYR H H 11 8.040 8.040 7.669 0.371 18162 479 1 24 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.920 0.270 18162 480 1 24 . 1 1 12 12 ILE H H 12 7.940 7.940 8.114 -0.174 18162 481 1 25 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.538 -0.208 18162 482 1 25 . 1 1 2 2 LEU H H 2 8.260 8.260 8.239 0.021 18162 483 1 25 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.434 0.196 18162 484 1 25 . 1 1 3 3 TYR H H 3 8.270 8.270 8.381 -0.111 18162 485 1 25 . 1 1 4 4 GLU HA H 4 4.260 4.260 3.977 0.283 18162 486 1 25 . 1 1 4 4 GLU H H 4 8.330 8.330 8.091 0.239 18162 487 1 25 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.788 -0.098 18162 488 1 25 . 1 1 5 5 ASN H H 5 8.480 8.480 7.578 0.902 18162 489 1 25 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.290 0.360 18162 490 1 25 . 1 1 6 6 LYS H H 6 8.130 8.130 8.371 -0.241 18162 491 1 25 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.661 -0.281 18162 492 1 25 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.396 -0.086 18162 493 1 25 . 1 1 8 8 ARG H H 8 8.490 8.490 8.237 0.253 18162 494 1 25 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.575 0.075 18162 495 1 25 . 1 1 9 9 ARG H H 9 8.330 8.330 8.414 -0.084 18162 496 1 25 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.273 0.147 18162 497 1 25 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.273 0.357 18162 498 1 25 . 1 1 11 11 TYR H H 11 8.040 8.040 8.275 -0.235 18162 499 1 25 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.068 0.122 18162 500 1 25 . 1 1 12 12 ILE H H 12 7.940 7.940 7.358 0.582 18162 501 1 26 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.301 0.029 18162 502 1 26 . 1 1 2 2 LEU H H 2 8.260 8.260 8.286 -0.026 18162 503 1 26 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.522 0.108 18162 504 1 26 . 1 1 3 3 TYR H H 3 8.270 8.270 8.293 -0.023 18162 505 1 26 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.449 -0.189 18162 506 1 26 . 1 1 4 4 GLU H H 4 8.330 8.330 8.637 -0.307 18162 507 1 26 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.803 -0.113 18162 508 1 26 . 1 1 5 5 ASN H H 5 8.480 8.480 8.492 -0.012 18162 509 1 26 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.289 0.361 18162 510 1 26 . 1 1 6 6 LYS H H 6 8.130 8.130 8.400 -0.270 18162 511 1 26 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.613 -0.233 18162 512 1 26 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.257 0.053 18162 513 1 26 . 1 1 8 8 ARG H H 8 8.490 8.490 8.284 0.206 18162 514 1 26 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.598 0.052 18162 515 1 26 . 1 1 9 9 ARG H H 9 8.330 8.330 8.101 0.229 18162 516 1 26 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.321 0.099 18162 517 1 26 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.359 0.271 18162 518 1 26 . 1 1 11 11 TYR H H 11 8.040 8.040 8.290 -0.250 18162 519 1 26 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.571 -0.381 18162 520 1 26 . 1 1 12 12 ILE H H 12 7.940 7.940 8.378 -0.438 18162 521 1 27 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.436 -0.106 18162 522 1 27 . 1 1 2 2 LEU H H 2 8.260 8.260 8.089 0.171 18162 523 1 27 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.474 0.156 18162 524 1 27 . 1 1 3 3 TYR H H 3 8.270 8.270 8.519 -0.249 18162 525 1 27 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.262 -0.002 18162 526 1 27 . 1 1 4 4 GLU H H 4 8.330 8.330 8.583 -0.253 18162 527 1 27 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.516 0.174 18162 528 1 27 . 1 1 5 5 ASN H H 5 8.480 8.480 8.334 0.146 18162 529 1 27 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.292 0.358 18162 530 1 27 . 1 1 6 6 LYS H H 6 8.130 8.130 8.199 -0.069 18162 531 1 27 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.643 -0.263 18162 532 1 27 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.280 0.030 18162 533 1 27 . 1 1 8 8 ARG H H 8 8.490 8.490 8.071 0.419 18162 534 1 27 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.643 0.007 18162 535 1 27 . 1 1 9 9 ARG H H 9 8.330 8.330 8.349 -0.019 18162 536 1 27 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.353 0.067 18162 537 1 27 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.160 0.470 18162 538 1 27 . 1 1 11 11 TYR H H 11 8.040 8.040 8.407 -0.367 18162 539 1 27 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.967 0.223 18162 540 1 27 . 1 1 12 12 ILE H H 12 7.940 7.940 7.676 0.264 18162 541 1 28 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.471 -0.141 18162 542 1 28 . 1 1 2 2 LEU H H 2 8.260 8.260 7.998 0.262 18162 543 1 28 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.521 0.109 18162 544 1 28 . 1 1 3 3 TYR H H 3 8.270 8.270 8.528 -0.258 18162 545 1 28 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.051 0.209 18162 546 1 28 . 1 1 4 4 GLU H H 4 8.330 8.330 7.877 0.453 18162 547 1 28 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.806 -0.116 18162 548 1 28 . 1 1 5 5 ASN H H 5 8.480 8.480 8.563 -0.083 18162 549 1 28 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.446 0.204 18162 550 1 28 . 1 1 6 6 LYS H H 6 8.130 8.130 8.451 -0.321 18162 551 1 28 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.570 -0.190 18162 552 1 28 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.258 0.052 18162 553 1 28 . 1 1 8 8 ARG H H 8 8.490 8.490 8.099 0.391 18162 554 1 28 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.576 0.074 18162 555 1 28 . 1 1 9 9 ARG H H 9 8.330 8.330 8.250 0.080 18162 556 1 28 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.160 0.260 18162 557 1 28 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.341 0.289 18162 558 1 28 . 1 1 11 11 TYR H H 11 8.040 8.040 8.625 -0.585 18162 559 1 28 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.164 0.026 18162 560 1 28 . 1 1 12 12 ILE H H 12 7.940 7.940 8.097 -0.157 18162 561 1 29 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.424 -0.094 18162 562 1 29 . 1 1 2 2 LEU H H 2 8.260 8.260 8.024 0.236 18162 563 1 29 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.470 0.160 18162 564 1 29 . 1 1 3 3 TYR H H 3 8.270 8.270 8.397 -0.127 18162 565 1 29 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.098 0.162 18162 566 1 29 . 1 1 4 4 GLU H H 4 8.330 8.330 7.943 0.387 18162 567 1 29 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.828 -0.138 18162 568 1 29 . 1 1 5 5 ASN H H 5 8.480 8.480 8.550 -0.070 18162 569 1 29 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.553 0.097 18162 570 1 29 . 1 1 6 6 LYS H H 6 8.130 8.130 8.529 -0.399 18162 571 1 29 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.513 -0.133 18162 572 1 29 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.367 -0.057 18162 573 1 29 . 1 1 8 8 ARG H H 8 8.490 8.490 8.155 0.335 18162 574 1 29 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.604 0.046 18162 575 1 29 . 1 1 9 9 ARG H H 9 8.330 8.330 8.215 0.115 18162 576 1 29 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.182 0.238 18162 577 1 29 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.270 0.360 18162 578 1 29 . 1 1 11 11 TYR H H 11 8.040 8.040 8.393 -0.353 18162 579 1 29 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.016 0.174 18162 580 1 29 . 1 1 12 12 ILE H H 12 7.940 7.940 8.449 -0.509 18162 581 1 30 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.469 -0.139 18162 582 1 30 . 1 1 2 2 LEU H H 2 8.260 8.260 8.147 0.113 18162 583 1 30 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.244 0.386 18162 584 1 30 . 1 1 3 3 TYR H H 3 8.270 8.270 8.590 -0.320 18162 585 1 30 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.312 -0.052 18162 586 1 30 . 1 1 4 4 GLU H H 4 8.330 8.330 8.258 0.072 18162 587 1 30 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.649 0.041 18162 588 1 30 . 1 1 5 5 ASN H H 5 8.480 8.480 8.349 0.131 18162 589 1 30 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.654 -0.004 18162 590 1 30 . 1 1 6 6 LYS H H 6 8.130 8.130 8.326 -0.196 18162 591 1 30 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.535 -0.155 18162 592 1 30 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.347 -0.037 18162 593 1 30 . 1 1 8 8 ARG H H 8 8.490 8.490 8.203 0.287 18162 594 1 30 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.546 0.104 18162 595 1 30 . 1 1 9 9 ARG H H 9 8.330 8.330 8.506 -0.176 18162 596 1 30 . 1 1 10 10 PRO HA H 10 4.420 4.420 3.989 0.431 18162 597 1 30 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.750 -0.120 18162 598 1 30 . 1 1 11 11 TYR H H 11 8.040 8.040 7.479 0.561 18162 599 1 30 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.949 0.241 18162 600 1 30 . 1 1 12 12 ILE H H 12 7.940 7.940 8.357 -0.417 18162 601 1 31 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.107 0.223 18162 602 1 31 . 1 1 2 2 LEU H H 2 8.260 8.260 8.209 0.051 18162 603 1 31 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.234 0.396 18162 604 1 31 . 1 1 3 3 TYR H H 3 8.270 8.270 7.954 0.316 18162 605 1 31 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.234 0.026 18162 606 1 31 . 1 1 4 4 GLU H H 4 8.330 8.330 8.375 -0.045 18162 607 1 31 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.789 -0.099 18162 608 1 31 . 1 1 5 5 ASN H H 5 8.480 8.480 8.204 0.276 18162 609 1 31 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.538 0.112 18162 610 1 31 . 1 1 6 6 LYS H H 6 8.130 8.130 8.461 -0.331 18162 611 1 31 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.654 -0.274 18162 612 1 31 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.418 -0.108 18162 613 1 31 . 1 1 8 8 ARG H H 8 8.490 8.490 8.272 0.218 18162 614 1 31 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.639 0.011 18162 615 1 31 . 1 1 9 9 ARG H H 9 8.330 8.330 8.354 -0.024 18162 616 1 31 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.373 0.047 18162 617 1 31 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.273 0.357 18162 618 1 31 . 1 1 11 11 TYR H H 11 8.040 8.040 8.566 -0.526 18162 619 1 31 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.773 0.417 18162 620 1 31 . 1 1 12 12 ILE H H 12 7.940 7.940 7.683 0.257 18162 621 1 32 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.102 0.228 18162 622 1 32 . 1 1 2 2 LEU H H 2 8.260 8.260 7.998 0.262 18162 623 1 32 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.510 0.120 18162 624 1 32 . 1 1 3 3 TYR H H 3 8.270 8.270 7.786 0.484 18162 625 1 32 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.373 -0.113 18162 626 1 32 . 1 1 4 4 GLU H H 4 8.330 8.330 8.539 -0.209 18162 627 1 32 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.766 -0.076 18162 628 1 32 . 1 1 5 5 ASN H H 5 8.480 8.480 8.554 -0.074 18162 629 1 32 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.329 0.321 18162 630 1 32 . 1 1 6 6 LYS H H 6 8.130 8.130 8.467 -0.337 18162 631 1 32 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.567 -0.187 18162 632 1 32 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.237 0.073 18162 633 1 32 . 1 1 8 8 ARG H H 8 8.490 8.490 8.205 0.285 18162 634 1 32 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.583 0.067 18162 635 1 32 . 1 1 9 9 ARG H H 9 8.330 8.330 8.409 -0.079 18162 636 1 32 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.372 0.048 18162 637 1 32 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.195 0.435 18162 638 1 32 . 1 1 11 11 TYR H H 11 8.040 8.040 7.829 0.211 18162 639 1 32 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.882 0.308 18162 640 1 32 . 1 1 12 12 ILE H H 12 7.940 7.940 8.288 -0.348 18162 641 1 33 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.451 -0.121 18162 642 1 33 . 1 1 2 2 LEU H H 2 8.260 8.260 8.370 -0.110 18162 643 1 33 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.220 0.410 18162 644 1 33 . 1 1 3 3 TYR H H 3 8.270 8.270 8.638 -0.368 18162 645 1 33 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.276 -0.016 18162 646 1 33 . 1 1 4 4 GLU H H 4 8.330 8.330 8.344 -0.014 18162 647 1 33 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.544 0.146 18162 648 1 33 . 1 1 5 5 ASN H H 5 8.480 8.480 8.447 0.033 18162 649 1 33 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.277 0.373 18162 650 1 33 . 1 1 6 6 LYS H H 6 8.130 8.130 8.383 -0.253 18162 651 1 33 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.545 -0.165 18162 652 1 33 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.360 -0.050 18162 653 1 33 . 1 1 8 8 ARG H H 8 8.490 8.490 7.950 0.540 18162 654 1 33 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.364 0.286 18162 655 1 33 . 1 1 9 9 ARG H H 9 8.330 8.330 8.494 -0.164 18162 656 1 33 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.111 0.309 18162 657 1 33 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.302 0.328 18162 658 1 33 . 1 1 11 11 TYR H H 11 8.040 8.040 8.334 -0.294 18162 659 1 33 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.898 0.292 18162 660 1 33 . 1 1 12 12 ILE H H 12 7.940 7.940 8.549 -0.609 18162 661 1 34 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.464 -0.134 18162 662 1 34 . 1 1 2 2 LEU H H 2 8.260 8.260 8.133 0.127 18162 663 1 34 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.276 0.354 18162 664 1 34 . 1 1 3 3 TYR H H 3 8.270 8.270 7.968 0.302 18162 665 1 34 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.254 0.006 18162 666 1 34 . 1 1 4 4 GLU H H 4 8.330 8.330 8.484 -0.154 18162 667 1 34 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.845 -0.155 18162 668 1 34 . 1 1 5 5 ASN H H 5 8.480 8.480 8.551 -0.071 18162 669 1 34 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.393 0.257 18162 670 1 34 . 1 1 6 6 LYS H H 6 8.130 8.130 8.462 -0.332 18162 671 1 34 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.623 -0.243 18162 672 1 34 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.317 -0.007 18162 673 1 34 . 1 1 8 8 ARG H H 8 8.490 8.490 8.414 0.076 18162 674 1 34 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.615 0.035 18162 675 1 34 . 1 1 9 9 ARG H H 9 8.330 8.330 8.170 0.160 18162 676 1 34 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.408 0.012 18162 677 1 34 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.249 0.381 18162 678 1 34 . 1 1 11 11 TYR H H 11 8.040 8.040 8.406 -0.366 18162 679 1 34 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.949 0.241 18162 680 1 34 . 1 1 12 12 ILE H H 12 7.940 7.940 8.140 -0.200 18162 681 1 35 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.421 -0.091 18162 682 1 35 . 1 1 2 2 LEU H H 2 8.260 8.260 8.316 -0.056 18162 683 1 35 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.380 0.250 18162 684 1 35 . 1 1 3 3 TYR H H 3 8.270 8.270 8.515 -0.245 18162 685 1 35 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.180 0.080 18162 686 1 35 . 1 1 4 4 GLU H H 4 8.330 8.330 8.955 -0.625 18162 687 1 35 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.753 -0.063 18162 688 1 35 . 1 1 5 5 ASN H H 5 8.480 8.480 7.951 0.529 18162 689 1 35 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.463 0.187 18162 690 1 35 . 1 1 6 6 LYS H H 6 8.130 8.130 8.522 -0.392 18162 691 1 35 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.502 -0.122 18162 692 1 35 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.413 -0.103 18162 693 1 35 . 1 1 8 8 ARG H H 8 8.490 8.490 8.137 0.353 18162 694 1 35 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.622 0.028 18162 695 1 35 . 1 1 9 9 ARG H H 9 8.330 8.330 8.278 0.052 18162 696 1 35 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.330 0.090 18162 697 1 35 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.405 0.225 18162 698 1 35 . 1 1 11 11 TYR H H 11 8.040 8.040 8.318 -0.278 18162 699 1 35 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.339 -0.149 18162 700 1 35 . 1 1 12 12 ILE H H 12 7.940 7.940 8.250 -0.310 18162 701 1 36 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.415 -0.085 18162 702 1 36 . 1 1 2 2 LEU H H 2 8.260 8.260 8.147 0.113 18162 703 1 36 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.489 0.141 18162 704 1 36 . 1 1 3 3 TYR H H 3 8.270 8.270 8.404 -0.134 18162 705 1 36 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.321 -0.061 18162 706 1 36 . 1 1 4 4 GLU H H 4 8.330 8.330 8.678 -0.348 18162 707 1 36 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.703 -0.013 18162 708 1 36 . 1 1 5 5 ASN H H 5 8.480 8.480 8.018 0.462 18162 709 1 36 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.294 0.356 18162 710 1 36 . 1 1 6 6 LYS H H 6 8.130 8.130 8.332 -0.202 18162 711 1 36 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.622 -0.242 18162 712 1 36 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.392 -0.082 18162 713 1 36 . 1 1 8 8 ARG H H 8 8.490 8.490 8.264 0.226 18162 714 1 36 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.623 0.027 18162 715 1 36 . 1 1 9 9 ARG H H 9 8.330 8.330 8.423 -0.093 18162 716 1 36 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.365 0.055 18162 717 1 36 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.375 0.255 18162 718 1 36 . 1 1 11 11 TYR H H 11 8.040 8.040 8.625 -0.585 18162 719 1 36 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.178 0.012 18162 720 1 36 . 1 1 12 12 ILE H H 12 7.940 7.940 8.324 -0.384 18162 721 1 37 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.398 -0.068 18162 722 1 37 . 1 1 2 2 LEU H H 2 8.260 8.260 7.759 0.501 18162 723 1 37 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.534 0.096 18162 724 1 37 . 1 1 3 3 TYR H H 3 8.270 8.270 8.431 -0.161 18162 725 1 37 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.100 0.160 18162 726 1 37 . 1 1 4 4 GLU H H 4 8.330 8.330 8.725 -0.395 18162 727 1 37 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.677 0.013 18162 728 1 37 . 1 1 5 5 ASN H H 5 8.480 8.480 8.005 0.475 18162 729 1 37 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.266 0.384 18162 730 1 37 . 1 1 6 6 LYS H H 6 8.130 8.130 8.497 -0.367 18162 731 1 37 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.400 -0.020 18162 732 1 37 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.334 -0.024 18162 733 1 37 . 1 1 8 8 ARG H H 8 8.490 8.490 8.083 0.407 18162 734 1 37 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.319 0.331 18162 735 1 37 . 1 1 9 9 ARG H H 9 8.330 8.330 8.535 -0.205 18162 736 1 37 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.200 0.220 18162 737 1 37 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.422 0.208 18162 738 1 37 . 1 1 11 11 TYR H H 11 8.040 8.040 8.358 -0.318 18162 739 1 37 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.138 0.052 18162 740 1 37 . 1 1 12 12 ILE H H 12 7.940 7.940 7.750 0.190 18162 741 1 38 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.352 -0.022 18162 742 1 38 . 1 1 2 2 LEU H H 2 8.260 8.260 7.713 0.547 18162 743 1 38 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.432 0.198 18162 744 1 38 . 1 1 3 3 TYR H H 3 8.270 8.270 8.729 -0.459 18162 745 1 38 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.192 0.068 18162 746 1 38 . 1 1 4 4 GLU H H 4 8.330 8.330 8.855 -0.525 18162 747 1 38 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.939 -0.249 18162 748 1 38 . 1 1 5 5 ASN H H 5 8.480 8.480 8.156 0.324 18162 749 1 38 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.563 0.087 18162 750 1 38 . 1 1 6 6 LYS H H 6 8.130 8.130 8.450 -0.320 18162 751 1 38 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.657 -0.277 18162 752 1 38 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.275 0.035 18162 753 1 38 . 1 1 8 8 ARG H H 8 8.490 8.490 8.027 0.463 18162 754 1 38 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.571 0.079 18162 755 1 38 . 1 1 9 9 ARG H H 9 8.330 8.330 8.375 -0.045 18162 756 1 38 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.262 0.158 18162 757 1 38 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.375 0.255 18162 758 1 38 . 1 1 11 11 TYR H H 11 8.040 8.040 8.036 0.004 18162 759 1 38 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.489 -0.299 18162 760 1 38 . 1 1 12 12 ILE H H 12 7.940 7.940 8.247 -0.307 18162 761 1 39 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.338 -0.008 18162 762 1 39 . 1 1 2 2 LEU H H 2 8.260 8.260 7.821 0.439 18162 763 1 39 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.442 0.188 18162 764 1 39 . 1 1 3 3 TYR H H 3 8.270 8.270 8.818 -0.548 18162 765 1 39 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.064 0.196 18162 766 1 39 . 1 1 4 4 GLU H H 4 8.330 8.330 8.105 0.225 18162 767 1 39 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.610 0.080 18162 768 1 39 . 1 1 5 5 ASN H H 5 8.480 8.480 8.283 0.197 18162 769 1 39 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.466 0.184 18162 770 1 39 . 1 1 6 6 LYS H H 6 8.130 8.130 8.411 -0.281 18162 771 1 39 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.581 -0.201 18162 772 1 39 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.293 0.017 18162 773 1 39 . 1 1 8 8 ARG H H 8 8.490 8.490 8.163 0.327 18162 774 1 39 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.619 0.031 18162 775 1 39 . 1 1 9 9 ARG H H 9 8.330 8.330 8.355 -0.025 18162 776 1 39 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.486 -0.066 18162 777 1 39 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.640 -0.010 18162 778 1 39 . 1 1 11 11 TYR H H 11 8.040 8.040 8.464 -0.424 18162 779 1 39 . 1 1 12 12 ILE HA H 12 4.190 4.190 3.613 0.577 18162 780 1 39 . 1 1 12 12 ILE H H 12 7.940 7.940 8.524 -0.584 18162 781 1 40 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.426 -0.096 18162 782 1 40 . 1 1 2 2 LEU H H 2 8.260 8.260 7.748 0.512 18162 783 1 40 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.530 0.100 18162 784 1 40 . 1 1 3 3 TYR H H 3 8.270 8.270 8.520 -0.250 18162 785 1 40 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.255 0.005 18162 786 1 40 . 1 1 4 4 GLU H H 4 8.330 8.330 8.859 -0.529 18162 787 1 40 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.845 -0.155 18162 788 1 40 . 1 1 5 5 ASN H H 5 8.480 8.480 7.767 0.713 18162 789 1 40 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.265 0.385 18162 790 1 40 . 1 1 6 6 LYS H H 6 8.130 8.130 8.437 -0.307 18162 791 1 40 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.470 -0.090 18162 792 1 40 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.381 -0.071 18162 793 1 40 . 1 1 8 8 ARG H H 8 8.490 8.490 8.124 0.366 18162 794 1 40 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.394 0.256 18162 795 1 40 . 1 1 9 9 ARG H H 9 8.330 8.330 8.573 -0.243 18162 796 1 40 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.439 -0.019 18162 797 1 40 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.374 0.256 18162 798 1 40 . 1 1 11 11 TYR H H 11 8.040 8.040 8.297 -0.257 18162 799 1 40 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.366 -0.176 18162 800 1 40 . 1 1 12 12 ILE H H 12 7.940 7.940 7.741 0.199 18162 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 18162 2 1 1 "Average Difference" HA 11 0.169 -0.035 0.174 18162 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18162 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18162 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18162 6 1 1 "Average Difference" HN 9 0.273 -0.010 0.290 18162 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18162 8 1 2 "Average Difference" HA 11 0.216 -0.053 0.220 18162 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18162 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18162 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18162 12 1 2 "Average Difference" HN 9 0.285 -0.044 0.298 18162 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18162 14 1 3 "Average Difference" HA 11 0.209 -0.079 0.203 18162 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18162 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18162 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18162 18 1 3 "Average Difference" HN 9 0.217 0.040 0.227 18162 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18162 20 1 4 "Average Difference" HA 11 0.222 -0.062 0.224 18162 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18162 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18162 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18162 24 1 4 "Average Difference" HN 9 0.421 -0.072 0.440 18162 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18162 26 1 5 "Average Difference" HA 11 0.167 -0.075 0.157 18162 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18162 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18162 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18162 30 1 5 "Average Difference" HN 9 0.403 0.003 0.427 18162 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18162 32 1 6 "Average Difference" HA 11 0.155 -0.038 0.158 18162 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18162 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18162 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18162 36 1 6 "Average Difference" HN 9 0.292 0.035 0.308 18162 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18162 38 1 7 "Average Difference" HA 11 0.181 -0.070 0.175 18162 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18162 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18162 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18162 42 1 7 "Average Difference" HN 9 0.313 -0.005 0.331 18162 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18162 44 1 8 "Average Difference" HA 11 0.208 -0.064 0.208 18162 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18162 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18162 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18162 48 1 8 "Average Difference" HN 9 0.351 -0.061 0.367 18162 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18162 50 1 9 "Average Difference" HA 11 0.227 -0.071 0.227 18162 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18162 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18162 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18162 54 1 9 "Average Difference" HN 9 0.346 -0.110 0.348 18162 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18162 56 1 10 "Average Difference" HA 11 0.183 0.053 0.183 18162 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18162 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18162 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18162 60 1 10 "Average Difference" HN 9 0.270 0.093 0.269 18162 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18162 62 1 11 "Average Difference" HA 11 0.243 -0.116 0.224 18162 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18162 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18162 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18162 66 1 11 "Average Difference" HN 9 0.294 -0.084 0.298 18162 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18162 68 1 12 "Average Difference" HA 11 0.240 0.031 0.250 18162 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18162 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18162 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18162 72 1 12 "Average Difference" HN 9 0.356 -0.010 0.378 18162 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18162 74 1 13 "Average Difference" HA 11 0.207 -0.094 0.194 18162 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18162 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18162 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18162 78 1 13 "Average Difference" HN 9 0.231 -0.051 0.239 18162 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18162 80 1 14 "Average Difference" HA 11 0.171 -0.106 0.141 18162 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18162 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18162 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18162 84 1 14 "Average Difference" HN 9 0.261 -0.079 0.264 18162 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18162 86 1 15 "Average Difference" HA 11 0.154 -0.043 0.154 18162 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18162 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18162 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18162 90 1 15 "Average Difference" HN 9 0.280 -0.101 0.277 18162 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18162 92 1 16 "Average Difference" HA 11 0.220 -0.070 0.218 18162 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18162 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18162 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18162 96 1 16 "Average Difference" HN 9 0.318 -0.011 0.338 18162 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18162 98 1 17 "Average Difference" HA 11 0.223 -0.099 0.210 18162 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18162 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18162 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18162 102 1 17 "Average Difference" HN 9 0.279 -0.112 0.270 18162 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18162 104 1 18 "Average Difference" HA 11 0.209 -0.051 0.213 18162 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18162 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18162 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18162 108 1 18 "Average Difference" HN 9 0.197 0.065 0.197 18162 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18162 110 1 19 "Average Difference" HA 11 0.109 -0.043 0.106 18162 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18162 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18162 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18162 114 1 19 "Average Difference" HN 9 0.298 0.001 0.316 18162 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18162 116 1 20 "Average Difference" HA 11 0.205 -0.098 0.189 18162 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18162 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18162 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18162 120 1 20 "Average Difference" HN 9 0.317 0.033 0.334 18162 121 1 21 "Average Difference" N 0 0.000 0.000 0.000 18162 122 1 21 "Average Difference" HA 11 0.169 -0.049 0.170 18162 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 18162 124 1 21 "Average Difference" CA 0 0.000 0.000 0.000 18162 125 1 21 "Average Difference" CB 0 0.000 0.000 0.000 18162 126 1 21 "Average Difference" HN 9 0.263 -0.001 0.279 18162 127 1 22 "Average Difference" N 0 0.000 0.000 0.000 18162 128 1 22 "Average Difference" HA 11 0.222 -0.051 0.226 18162 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 18162 130 1 22 "Average Difference" CA 0 0.000 0.000 0.000 18162 131 1 22 "Average Difference" CB 0 0.000 0.000 0.000 18162 132 1 22 "Average Difference" HN 9 0.244 0.040 0.255 18162 133 1 23 "Average Difference" N 0 0.000 0.000 0.000 18162 134 1 23 "Average Difference" HA 11 0.179 -0.069 0.173 18162 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 18162 136 1 23 "Average Difference" CA 0 0.000 0.000 0.000 18162 137 1 23 "Average Difference" CB 0 0.000 0.000 0.000 18162 138 1 23 "Average Difference" HN 9 0.243 -0.038 0.255 18162 139 1 24 "Average Difference" N 0 0.000 0.000 0.000 18162 140 1 24 "Average Difference" HA 11 0.174 -0.079 0.163 18162 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 18162 142 1 24 "Average Difference" CA 0 0.000 0.000 0.000 18162 143 1 24 "Average Difference" CB 0 0.000 0.000 0.000 18162 144 1 24 "Average Difference" HN 9 0.290 -0.023 0.307 18162 145 1 25 "Average Difference" N 0 0.000 0.000 0.000 18162 146 1 25 "Average Difference" HA 11 0.225 -0.079 0.221 18162 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 18162 148 1 25 "Average Difference" CA 0 0.000 0.000 0.000 18162 149 1 25 "Average Difference" CB 0 0.000 0.000 0.000 18162 150 1 25 "Average Difference" HN 9 0.395 -0.147 0.389 18162 151 1 26 "Average Difference" N 0 0.000 0.000 0.000 18162 152 1 26 "Average Difference" HA 11 0.209 -0.005 0.219 18162 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 18162 154 1 26 "Average Difference" CA 0 0.000 0.000 0.000 18162 155 1 26 "Average Difference" CB 0 0.000 0.000 0.000 18162 156 1 26 "Average Difference" HN 9 0.240 0.099 0.232 18162 157 1 27 "Average Difference" N 0 0.000 0.000 0.000 18162 158 1 27 "Average Difference" HA 11 0.221 -0.101 0.207 18162 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 18162 160 1 27 "Average Difference" CA 0 0.000 0.000 0.000 18162 161 1 27 "Average Difference" CB 0 0.000 0.000 0.000 18162 162 1 27 "Average Difference" HN 9 0.250 -0.005 0.265 18162 163 1 28 "Average Difference" N 0 0.000 0.000 0.000 18162 164 1 28 "Average Difference" HA 11 0.172 -0.071 0.165 18162 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 18162 166 1 28 "Average Difference" CA 0 0.000 0.000 0.000 18162 167 1 28 "Average Difference" CB 0 0.000 0.000 0.000 18162 168 1 28 "Average Difference" HN 9 0.330 0.024 0.349 18162 169 1 29 "Average Difference" N 0 0.000 0.000 0.000 18162 170 1 29 "Average Difference" HA 11 0.173 -0.074 0.164 18162 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 18162 172 1 29 "Average Difference" CA 0 0.000 0.000 0.000 18162 173 1 29 "Average Difference" CB 0 0.000 0.000 0.000 18162 174 1 29 "Average Difference" HN 9 0.315 0.043 0.331 18162 175 1 30 "Average Difference" N 0 0.000 0.000 0.000 18162 176 1 30 "Average Difference" HA 11 0.206 -0.063 0.206 18162 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 18162 178 1 30 "Average Difference" CA 0 0.000 0.000 0.000 18162 179 1 30 "Average Difference" CB 0 0.000 0.000 0.000 18162 180 1 30 "Average Difference" HN 9 0.294 -0.006 0.312 18162 181 1 31 "Average Difference" N 0 0.000 0.000 0.000 18162 182 1 31 "Average Difference" HA 11 0.237 -0.101 0.225 18162 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 18162 184 1 31 "Average Difference" CA 0 0.000 0.000 0.000 18162 185 1 31 "Average Difference" CB 0 0.000 0.000 0.000 18162 186 1 31 "Average Difference" HN 9 0.275 -0.021 0.291 18162 187 1 32 "Average Difference" N 0 0.000 0.000 0.000 18162 188 1 32 "Average Difference" HA 11 0.217 -0.111 0.196 18162 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 18162 190 1 32 "Average Difference" CA 0 0.000 0.000 0.000 18162 191 1 32 "Average Difference" CB 0 0.000 0.000 0.000 18162 192 1 32 "Average Difference" HN 9 0.283 -0.022 0.299 18162 193 1 33 "Average Difference" N 0 0.000 0.000 0.000 18162 194 1 33 "Average Difference" HA 11 0.260 -0.163 0.212 18162 195 1 33 "Average Difference" C 0 0.000 0.000 0.000 18162 196 1 33 "Average Difference" CA 0 0.000 0.000 0.000 18162 197 1 33 "Average Difference" CB 0 0.000 0.000 0.000 18162 198 1 33 "Average Difference" HN 9 0.331 0.138 0.320 18162 199 1 34 "Average Difference" N 0 0.000 0.000 0.000 18162 200 1 34 "Average Difference" HA 11 0.213 -0.068 0.211 18162 201 1 34 "Average Difference" C 0 0.000 0.000 0.000 18162 202 1 34 "Average Difference" CA 0 0.000 0.000 0.000 18162 203 1 34 "Average Difference" CB 0 0.000 0.000 0.000 18162 204 1 34 "Average Difference" HN 9 0.224 0.051 0.231 18162 205 1 35 "Average Difference" N 0 0.000 0.000 0.000 18162 206 1 35 "Average Difference" HA 11 0.142 -0.030 0.146 18162 207 1 35 "Average Difference" C 0 0.000 0.000 0.000 18162 208 1 35 "Average Difference" CA 0 0.000 0.000 0.000 18162 209 1 35 "Average Difference" CB 0 0.000 0.000 0.000 18162 210 1 35 "Average Difference" HN 9 0.363 0.108 0.368 18162 211 1 36 "Average Difference" N 0 0.000 0.000 0.000 18162 212 1 36 "Average Difference" HA 11 0.163 -0.033 0.167 18162 213 1 36 "Average Difference" C 0 0.000 0.000 0.000 18162 214 1 36 "Average Difference" CA 0 0.000 0.000 0.000 18162 215 1 36 "Average Difference" CB 0 0.000 0.000 0.000 18162 216 1 36 "Average Difference" HN 9 0.326 0.105 0.327 18162 217 1 37 "Average Difference" N 0 0.000 0.000 0.000 18162 218 1 37 "Average Difference" HA 11 0.189 -0.123 0.150 18162 219 1 37 "Average Difference" C 0 0.000 0.000 0.000 18162 220 1 37 "Average Difference" CA 0 0.000 0.000 0.000 18162 221 1 37 "Average Difference" CB 0 0.000 0.000 0.000 18162 222 1 37 "Average Difference" HN 9 0.355 -0.014 0.377 18162 223 1 38 "Average Difference" N 0 0.000 0.000 0.000 18162 224 1 38 "Average Difference" HA 11 0.185 -0.003 0.194 18162 225 1 38 "Average Difference" C 0 0.000 0.000 0.000 18162 226 1 38 "Average Difference" CA 0 0.000 0.000 0.000 18162 227 1 38 "Average Difference" CB 0 0.000 0.000 0.000 18162 228 1 38 "Average Difference" HN 9 0.380 0.035 0.402 18162 229 1 39 "Average Difference" N 0 0.000 0.000 0.000 18162 230 1 39 "Average Difference" HA 11 0.212 -0.090 0.201 18162 231 1 39 "Average Difference" C 0 0.000 0.000 0.000 18162 232 1 39 "Average Difference" CA 0 0.000 0.000 0.000 18162 233 1 39 "Average Difference" CB 0 0.000 0.000 0.000 18162 234 1 39 "Average Difference" HN 9 0.379 0.075 0.394 18162 235 1 40 "Average Difference" N 0 0.000 0.000 0.000 18162 236 1 40 "Average Difference" HA 11 0.183 -0.036 0.188 18162 237 1 40 "Average Difference" C 0 0.000 0.000 0.000 18162 238 1 40 "Average Difference" CA 0 0.000 0.000 0.000 18162 239 1 40 "Average Difference" CB 0 0.000 0.000 0.000 18162 240 1 40 "Average Difference" HN 9 0.409 -0.022 0.433 18162 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18162 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU HA H 2 4.330 4.330 4.328 0.002 18162 2 1 . 1 1 2 2 LEU H H 2 8.260 8.260 8.087 0.173 18162 3 1 . 1 1 3 3 TYR HA H 3 4.630 4.630 4.431 0.199 18162 4 1 . 1 1 3 3 TYR H H 3 8.270 8.270 8.275 -0.005 18162 5 1 . 1 1 4 4 GLU HA H 4 4.260 4.260 4.238 0.022 18162 6 1 . 1 1 4 4 GLU H H 4 8.330 8.330 8.450 -0.120 18162 7 1 . 1 1 5 5 ASN HA H 5 4.690 4.690 4.753 -0.063 18162 8 1 . 1 1 5 5 ASN H H 5 8.480 8.480 8.307 0.173 18162 9 1 . 1 1 6 6 LYS HA H 6 4.650 4.650 4.448 0.202 18162 10 1 . 1 1 6 6 LYS H H 6 8.130 8.130 8.430 -0.300 18162 11 1 . 1 1 7 7 PRO HA H 7 4.380 4.380 4.582 -0.202 18162 12 1 . 1 1 8 8 ARG HA H 8 4.310 4.310 4.349 -0.039 18162 13 1 . 1 1 8 8 ARG H H 8 8.490 8.490 8.181 0.309 18162 14 1 . 1 1 9 9 ARG HA H 9 4.650 4.650 4.551 0.100 18162 15 1 . 1 1 9 9 ARG H H 9 8.330 8.330 8.348 -0.018 18162 16 1 . 1 1 10 10 PRO HA H 10 4.420 4.420 4.287 0.133 18162 17 1 . 1 1 11 11 TYR HA H 11 4.630 4.630 4.341 0.289 18162 18 1 . 1 1 11 11 TYR H H 11 8.040 8.040 8.177 -0.137 18162 19 1 . 1 1 12 12 ILE HA H 12 4.190 4.190 4.121 0.069 18162 20 1 . 1 1 12 12 ILE H H 12 7.940 7.940 8.002 -0.062 18162 stop_ save_