============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 178.459 52.018 81.193 -99.200 -91.000 TYR 20 0.840 162.726 40.943 98.058 -99.200 -91.000 TYR 28 0.840 164.528 36.935 93.221 -99.200 -91.000 HIS 29 0.900 171.331 34.462 97.866 -99.200 -91.000 TYR 31 0.840 167.839 42.135 93.263 -99.200 -91.000 TRP 47 1.040 174.397 58.936 82.879 -99.200 -91.000 TRP6 47 1.020 175.982 57.229 82.514 -99.200 -91.000 PHE 53 1.000 163.150 41.253 92.564 -99.200 -91.000 TYR 57 0.840 158.388 41.020 88.642 -99.200 -91.000 HIS 61 0.900 167.543 36.158 79.807 -99.200 -91.000 HIS 84 0.900 157.303 62.248 73.812 -99.200 -91.000 TRP 88 1.040 156.641 53.031 72.302 -99.200 -91.000 TRP6 88 1.020 157.675 52.141 74.227 -99.200 -91.000 HIS 98 0.900 162.431 40.945 73.101 -99.200 -91.000 TRP 110 1.040 161.056 60.503 78.045 -99.200 -91.000 TRP6 110 1.020 159.577 62.322 78.182 -99.200 -91.000 HIS 154 0.900 161.963 48.443 105.373 -99.200 -91.000 PHE 159 1.000 161.359 53.118 103.383 -99.200 -91.000 HIS 162 0.900 155.705 49.670 105.894 -99.200 -91.000 TRP 194 1.040 147.897 52.019 100.099 -99.200 -91.000 TRP6 194 1.020 149.239 51.052 98.414 -99.200 -91.000 TYR 195 0.840 150.812 48.261 106.567 -99.200 -91.000 HIS 207 0.900 147.726 30.273 99.298 -99.200 -91.000 TRP 230 1.040 142.587 39.188 81.580 -99.200 -91.000 TRP6 230 1.020 143.910 41.124 81.879 -99.200 -91.000 PHE 307 1.000 164.562 57.177 94.986 -99.200 -91.000 HIS 312 0.900 163.367 63.982 88.483 -99.200 -91.000 HIS 320 0.900 141.520 61.521 94.311 -99.200 -91.000 PHE 372 1.000 175.271 48.703 70.083 -99.200 -91.000