============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 5 1.000 1.945 6.798 13.581 -99.200 -91.000 PHE 9 1.000 4.827 9.642 17.465 -99.200 -91.000 TYR 31 0.840 -3.164 17.491 4.520 -99.200 -91.000 PHE 47 1.000 8.911 30.691 7.574 -99.200 -91.000 TYR 54 0.840 -1.214 11.248 18.655 -99.200 -91.000 PHE 59 1.000 5.376 14.814 13.091 -99.200 -91.000 TRP 62 1.040 10.956 26.349 7.200 -99.200 -91.000 TRP6 62 1.020 11.181 26.409 9.550 -99.200 -91.000 TRP 74 1.040 13.482 30.888 8.438 -99.200 -91.000 TRP6 74 1.020 14.251 29.663 6.568 -99.200 -91.000 HIS 76 0.900 11.369 31.543 19.264 -99.200 -91.000 TYR 77 0.840 8.942 28.264 13.864 -99.200 -91.000 TYR 78 0.840 16.939 26.271 12.058 -99.200 -91.000 PHE 86 1.000 17.003 18.502 4.082 -99.200 -91.000 TRP 117 1.040 20.096 15.596 9.572 -99.200 -91.000 TRP6 117 1.020 20.023 17.778 10.479 -99.200 -91.000 PHE 120 1.000 10.512 10.240 6.862 -99.200 -91.000 HIS 142 0.900 27.824 6.004 5.735 -99.200 -91.000 TRP 149 1.040 24.274 9.472 10.314 -99.200 -91.000 TRP6 149 1.020 23.843 8.112 8.429 -99.200 -91.000 PHE 150 1.000 17.093 4.328 10.168 -99.200 -91.000 TYR 163 0.840 5.561 2.192 13.686 -99.200 -91.000 TRP 168 1.040 17.129 5.709 14.090 -99.200 -91.000 TRP6 168 1.020 17.610 8.026 14.047 -99.200 -91.000