============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 7 1.000 -0.483 2.919 10.090 -99.200 -91.000 PHE 14 1.000 9.498 5.336 12.232 -99.200 -91.000 PHE 16 1.000 11.984 13.302 4.249 -99.200 -91.000 TRP 17 1.040 14.624 9.603 11.633 -99.200 -91.000 TRP6 17 1.020 14.763 7.472 12.633 -99.200 -91.000 TYR 30 0.840 33.760 2.097 9.049 -99.200 -91.000 HIS 44 0.900 26.966 5.227 15.028 -99.200 -91.000 HIS 54 0.900 12.921 9.492 14.846 -99.200 -91.000 PHE 74 1.000 -9.255 0.371 6.982 -99.200 -91.000 PHE 90 1.000 13.564 1.952 15.119 -99.200 -91.000 HIS 108 0.900 39.528 5.549 20.528 -99.200 -91.000 HIS 111 0.900 43.133 5.053 13.053 -99.200 -91.000 PHE 113 1.000 49.687 -1.579 17.320 -99.200 -91.000 PHE 114 1.000 48.525 1.666 12.924 -99.200 -91.000 TRP 123 1.040 63.730 4.750 23.125 -99.200 -91.000 TRP6 123 1.020 64.742 2.690 22.582 -99.200 -91.000 TYR 136 0.840 84.635 5.033 14.353 -99.200 -91.000 HIS 150 0.900 78.195 1.036 21.143 -99.200 -91.000 HIS 160 0.900 62.169 1.213 25.366 -99.200 -91.000 PHE 192 1.000 58.045 -1.045 16.594 -99.200 -91.000 HIS 195 0.900 61.928 2.331 10.857 -99.200 -91.000 TRP 196 1.040 64.274 -4.252 18.165 -99.200 -91.000 TRP6 196 1.020 65.130 -2.699 19.734 -99.200 -91.000 TYR 216 0.840 95.612 3.202 15.054 -99.200 -91.000 PHE 219 1.000 101.024 -0.917 16.108 -99.200 -91.000 TRP 229 1.040 115.101 2.265 25.978 -99.200 -91.000 TRP6 229 1.020 116.188 1.233 24.151 -99.200 -91.000 TYR 242 0.840 135.283 7.908 22.667 -99.200 -91.000 HIS 256 0.900 128.196 0.486 23.214 -99.200 -91.000 PHE 259 1.000 122.463 1.245 23.602 -99.200 -91.000 PHE 263 1.000 119.122 -1.214 20.011 -99.200 -91.000 HIS 266 0.900 113.835 -1.035 25.913 -99.200 -91.000 HIS 286 0.900 89.090 3.239 10.464 -99.200 -91.000 HIS 287 0.900 92.510 3.789 12.684 -99.200 -91.000