============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 5 1.000 139.569 45.299 115.051 -99.200 -91.000 TRP 10 1.040 132.096 41.217 104.266 -99.200 -91.000 TRP6 10 1.020 133.774 40.522 105.783 -99.200 -91.000 HIS 11 0.900 125.409 45.461 101.039 -99.200 -91.000 HIS 13 0.900 123.703 43.846 94.789 -99.200 -91.000 HIS 15 0.900 122.437 34.718 94.101 -99.200 -91.000 TYR 19 0.840 117.029 37.985 79.208 -99.200 -91.000 PHE 22 1.000 118.180 34.858 93.166 -99.200 -91.000 TYR 27 0.840 127.434 45.109 108.435 -99.200 -91.000 TRP 33 1.040 136.236 32.993 119.240 -99.200 -91.000 TRP6 33 1.020 134.982 32.822 121.266 -99.200 -91.000 TYR 47 0.840 133.626 46.163 114.721 -99.200 -91.000 HIS 50 0.900 128.225 50.444 108.540 -99.200 -91.000 PHE 56 1.000 138.366 58.415 112.097 -99.200 -91.000 TYR 66 0.840 139.159 55.360 121.176 -99.200 -91.000 PHE 79 1.000 140.552 55.279 108.176 -99.200 -91.000 PHE 86 1.000 133.056 60.784 95.899 -99.200 -91.000 TYR 87 0.840 128.532 60.012 98.230 -99.200 -91.000 TYR 102 0.840 145.952 57.410 118.626 -99.200 -91.000 TYR 114 0.840 141.964 39.595 98.769 -99.200 -91.000 PHE 117 1.000 149.908 46.495 105.608 -99.200 -91.000 TYR 125 0.840 145.621 52.645 104.395 -99.200 -91.000 HIS 159 0.900 158.962 42.196 120.596 -99.200 -91.000 PHE 165 1.000 152.736 34.195 121.331 -99.200 -91.000 TYR 168 0.840 155.324 31.436 115.807 -99.200 -91.000 PHE 171 1.000 149.414 33.439 109.584 -99.200 -91.000 TYR 174 0.840 153.417 37.135 102.418 -99.200 -91.000 PHE 197 1.000 155.414 44.566 117.684 -99.200 -91.000 TYR 200 0.840 155.306 59.685 112.353 -99.200 -91.000 PHE 208 1.000 149.658 38.731 111.732 -99.200 -91.000 HIS 214 0.900 141.696 33.664 101.044 -99.200 -91.000 TRP 215 1.040 145.364 36.354 102.212 -99.200 -91.000 TRP6 215 1.020 146.250 38.546 102.031 -99.200 -91.000 PHE 220 1.000 146.521 33.929 112.962 -99.200 -91.000 TRP 222 1.040 149.419 29.196 117.232 -99.200 -91.000 TRP6 222 1.020 150.166 31.446 117.326 -99.200 -91.000 PHE 224 1.000 151.354 29.749 122.687 -99.200 -91.000 TYR 225 0.840 143.352 34.556 116.521 -99.200 -91.000 TRP 229 1.040 145.318 38.764 116.973 -99.200 -91.000 TRP6 229 1.020 146.318 40.090 115.288 -99.200 -91.000 PHE 235 1.000 156.537 46.086 122.232 -99.200 -91.000