============================================================================= 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 7 1.000 110.979 58.596 68.900 -99.200 -91.000 TRP 12 1.040 120.383 50.860 75.039 -99.200 -91.000 TRP6 12 1.020 118.769 50.891 73.323 -99.200 -91.000 HIS 13 0.900 123.816 56.561 79.401 -99.200 -91.000 HIS 15 0.900 129.089 48.807 84.818 -99.200 -91.000 HIS 17 0.900 132.793 42.577 79.233 -99.200 -91.000 TYR 21 0.840 138.846 36.516 93.024 -99.200 -91.000 PHE 24 1.000 136.860 43.158 80.348 -99.200 -91.000 TYR 29 0.840 123.681 57.416 74.778 -99.200 -91.000 TRP 35 1.040 115.095 52.437 59.452 -99.200 -91.000 TRP6 35 1.020 116.103 53.178 57.442 -99.200 -91.000 TYR 49 0.840 116.467 60.794 70.559 -99.200 -91.000 HIS 52 0.900 121.069 61.151 78.005 -99.200 -91.000 PHE 58 1.000 108.625 66.282 80.254 -99.200 -91.000 TYR 68 0.840 107.812 69.699 71.017 -99.200 -91.000 PHE 81 1.000 108.075 60.590 80.329 -99.200 -91.000 PHE 88 1.000 114.852 58.119 94.082 -99.200 -91.000 TYR 89 0.840 118.960 60.603 92.561 -99.200 -91.000 TYR 104 0.840 100.984 67.585 73.578 -99.200 -91.000 TYR 116 0.840 112.413 43.207 76.419 -99.200 -91.000 PHE 119 1.000 101.874 50.234 75.139 -99.200 -91.000 TYR 127 0.840 104.545 54.681 80.677 -99.200 -91.000 HIS 161 0.900 92.566 54.418 60.357 -99.200 -91.000 PHE 167 1.000 100.822 51.569 55.002 -99.200 -91.000 TYR 170 0.840 100.097 45.249 56.894 -99.200 -91.000 PHE 173 1.000 105.849 43.971 63.367 -99.200 -91.000 TYR 176 0.840 101.824 40.563 70.672 -99.200 -91.000 PHE 199 1.000 95.650 55.202 64.328 -99.200 -91.000 TYR 202 0.840 92.308 62.088 78.268 -99.200 -91.000 PHE 210 1.000 103.664 49.224 65.517 -99.200 -91.000 HIS 216 0.900 114.057 40.715 70.927 -99.200 -91.000 TRP 217 1.040 109.794 42.284 71.206 -99.200 -91.000 TRP6 217 1.020 108.310 43.337 72.726 -99.200 -91.000 PHE 222 1.000 107.949 47.691 61.495 -99.200 -91.000 TRP 224 1.040 106.206 46.388 54.974 -99.200 -91.000 TRP6 224 1.020 104.620 47.647 56.203 -99.200 -91.000 PHE 226 1.000 103.394 49.942 51.276 -99.200 -91.000 TYR 227 0.840 110.423 51.589 60.051 -99.200 -91.000 TRP 231 1.040 107.055 53.738 62.189 -99.200 -91.000 TRP6 231 1.020 106.056 53.112 64.250 -99.200 -91.000 PHE 237 1.000 93.442 58.936 61.770 -99.200 -91.000