============================================================================= 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 2 1.000 -5.499 26.594 53.861 -99.200 -91.000 HIS 7 0.900 -21.967 25.812 48.514 -99.200 -91.000 PHE 9 1.000 -11.242 27.752 47.705 -99.200 -91.000 PHE 29 1.000 -16.570 14.341 60.807 -99.200 -91.000 TYR 56 0.840 -26.525 16.227 58.630 -99.200 -91.000 PHE 64 1.000 -18.491 14.224 55.305 -99.200 -91.000 PHE 74 1.000 -4.201 22.550 49.631 -99.200 -91.000 HIS 76 0.900 1.867 18.438 43.603 -99.200 -91.000 TYR 98 0.840 -10.034 2.614 44.025 -99.200 -91.000 PHE 107 1.000 1.320 -1.283 48.963 -99.200 -91.000 HIS 111 0.900 2.818 -5.914 49.623 -99.200 -91.000 PHE 115 1.000 6.718 -2.489 47.618 -99.200 -91.000 TYR 133 0.840 0.270 23.455 44.850 -99.200 -91.000 TYR 139 0.840 -3.262 22.488 54.909 -99.200 -91.000 HIS 141 0.900 -1.426 16.874 56.643 -99.200 -91.000 PHE 162 1.000 -4.950 17.810 52.399 -99.200 -91.000 TRP 166 1.040 3.847 10.241 62.480 -99.200 -91.000 TRP6 166 1.020 2.669 8.818 63.949 -99.200 -91.000 TYR 174 0.840 6.995 27.803 71.182 -99.200 -91.000 PHE 177 1.000 1.270 22.147 65.527 -99.200 -91.000 TRP 184 1.040 10.063 16.055 64.140 -99.200 -91.000 TRP6 184 1.020 12.046 16.412 65.356 -99.200 -91.000 TYR 186 0.840 9.590 13.779 53.393 -99.200 -91.000 TRP 191 1.040 12.837 5.257 61.658 -99.200 -91.000 TRP6 191 1.020 11.111 3.989 62.653 -99.200 -91.000 TYR 196 0.840 9.882 -2.439 53.200 -99.200 -91.000 TYR 201 0.840 9.978 8.785 68.237 -99.200 -91.000 TRP 202 1.040 10.075 0.714 67.715 -99.200 -91.000 TRP6 202 1.020 11.914 2.026 68.426 -99.200 -91.000 TYR 217 0.840 19.154 9.364 73.938 -99.200 -91.000 TYR 230 0.840 19.811 7.422 60.912 -99.200 -91.000 TRP 237 1.040 13.447 13.209 62.396 -99.200 -91.000 TRP6 237 1.020 14.330 11.028 62.361 -99.200 -91.000 PHE 247 1.000 7.971 19.517 53.334 -99.200 -91.000