============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 60.555 37.017 76.079 -99.200 -91.000 TYR 30 0.840 72.278 49.142 57.715 -99.200 -91.000 TYR 36 0.840 59.774 46.591 54.466 -99.200 -91.000 TYR 37 0.840 66.022 42.090 55.297 -99.200 -91.000 PHE 62 1.000 53.935 41.567 61.593 -99.200 -91.000 TRP 72 1.040 55.121 48.674 48.722 -99.200 -91.000 TRP6 72 1.020 55.852 47.448 50.575 -99.200 -91.000 TYR 78 0.840 47.900 41.910 56.776 -99.200 -91.000 PHE 91 1.000 51.364 24.811 54.309 -99.200 -91.000 PHE 97 1.000 46.598 33.143 50.716 -99.200 -91.000 TYR 112 0.840 65.993 31.759 52.570 -99.200 -91.000 TYR 113 0.840 72.251 39.582 48.850 -99.200 -91.000 HIS 115 0.900 75.328 35.502 40.307 -99.200 -91.000 PHE 117 1.000 66.879 33.384 47.484 -99.200 -91.000 HIS 118 0.900 63.931 36.089 39.630 -99.200 -91.000 PHE 134 1.000 65.086 25.986 47.849 -99.200 -91.000 TYR 136 0.840 73.252 28.029 54.027 -99.200 -91.000 HIS 137 0.900 78.294 22.064 56.278 -99.200 -91.000 TYR 144 0.840 68.374 25.855 62.020 -99.200 -91.000 PHE 149 1.000 71.157 15.482 51.165 -99.200 -91.000 TYR 169 0.840 74.657 19.640 53.419 -99.200 -91.000 TYR 175 0.840 59.651 24.888 55.143 -99.200 -91.000 PHE 176 1.000 59.183 27.791 46.550 -99.200 -91.000 TYR 177 0.840 54.939 22.266 51.464 -99.200 -91.000 TYR 205 0.840 54.309 17.136 49.651 -99.200 -91.000 TYR 220 0.840 72.277 30.785 46.539 -99.200 -91.000 TRP 222 1.040 68.317 29.989 56.044 -99.200 -91.000 TRP6 222 1.020 68.647 28.142 57.451 -99.200 -91.000 HIS 228 0.900 69.009 38.600 73.156 -99.200 -91.000 PHE 237 1.000 75.759 38.470 54.738 -99.200 -91.000 TYR 257 0.840 60.957 50.816 38.253 -99.200 -91.000 TRP 261 1.040 54.759 41.798 39.867 -99.200 -91.000 TRP6 261 1.020 55.586 40.590 41.700 -99.200 -91.000 TYR 279 0.840 63.539 51.757 51.921 -99.200 -91.000 TYR 282 0.840 68.144 51.659 46.718 -99.200 -91.000 TYR 292 0.840 73.871 46.992 33.259 -99.200 -91.000