============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 9 0.900 38.881 126.043 73.530 -99.200 -91.000 TYR 20 0.840 42.811 116.120 57.845 -99.200 -91.000 PHE 26 1.000 62.845 120.459 48.431 -99.200 -91.000 HIS 28 0.900 63.279 128.030 55.443 -99.200 -91.000 HIS 35 0.900 49.588 124.679 56.572 -99.200 -91.000 TYR 37 0.840 43.486 125.873 54.653 -99.200 -91.000 TYR 39 0.840 34.372 119.896 51.311 -99.200 -91.000 PHE 44 1.000 45.513 127.020 59.505 -99.200 -91.000 PHE 52 1.000 64.445 116.123 56.297 -99.200 -91.000 HIS 55 0.900 56.003 110.990 53.185 -99.200 -91.000 TYR 66 0.840 46.744 106.134 61.909 -99.200 -91.000 TYR 71 0.840 60.450 114.206 65.709 -99.200 -91.000 HIS 72 0.900 68.608 113.282 62.097 -99.200 -91.000 TRP 87 1.040 50.229 114.127 65.996 -99.200 -91.000 TRP6 87 1.020 50.626 116.283 66.902 -99.200 -91.000 PHE 94 1.000 53.156 112.397 70.706 -99.200 -91.000 TYR 110 0.840 55.247 110.669 43.814 -99.200 -91.000 PHE 114 1.000 52.232 107.326 57.235 -99.200 -91.000 PHE 122 1.000 48.113 94.466 60.877 -99.200 -91.000 TYR 144 0.840 59.007 98.273 61.093 -99.200 -91.000 TRP 155 1.040 58.847 104.154 45.110 -99.200 -91.000 TRP6 155 1.020 60.340 104.282 46.942 -99.200 -91.000 PHE 167 1.000 51.249 95.465 51.574 -99.200 -91.000 PHE 197 1.000 55.539 99.319 34.386 -99.200 -91.000 PHE 205 1.000 53.087 110.107 35.027 -99.200 -91.000 HIS 216 0.900 41.317 101.156 35.398 -99.200 -91.000 PHE 217 1.000 48.766 101.084 38.516 -99.200 -91.000 TYR 220 0.840 57.686 108.933 32.985 -99.200 -91.000 TYR 221 0.840 57.027 107.552 26.270 -99.200 -91.000 TYR 225 0.840 50.743 99.818 30.233 -99.200 -91.000 PHE 229 1.000 42.732 95.130 43.336 -99.200 -91.000 TRP 240 1.040 42.874 101.621 28.132 -99.200 -91.000 TRP6 240 1.020 41.798 103.725 28.265 -99.200 -91.000 TRP 252 1.040 47.471 118.038 23.827 -99.200 -91.000 TRP6 252 1.020 46.750 119.302 25.695 -99.200 -91.000 TYR 257 0.840 55.455 116.096 41.588 -99.200 -91.000 HIS 263 0.900 32.130 109.470 40.383 -99.200 -91.000 TYR 270 0.840 37.357 112.853 37.153 -99.200 -91.000 PHE 272 1.000 45.952 117.182 37.982 -99.200 -91.000 HIS 274 0.900 52.762 117.870 30.253 -99.200 -91.000 HIS 282 0.900 59.246 112.632 34.228 -99.200 -91.000 PHE 284 1.000 57.240 120.631 31.723 -99.200 -91.000 TRP 290 1.040 42.930 115.884 28.267 -99.200 -91.000 TRP6 290 1.020 43.952 114.634 26.533 -99.200 -91.000 TYR 331 0.840 38.120 121.577 39.466 -99.200 -91.000 PHE 356 1.000 37.598 115.565 49.504 -99.200 -91.000 HIS 357 0.900 38.188 113.294 59.384 -99.200 -91.000