============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 10 1.000 22.378 12.484 32.149 -99.200 -91.000 TYR 15 0.840 16.239 6.450 31.557 -99.200 -91.000 PHE 29 1.000 13.959 26.338 25.803 -99.200 -91.000 HIS 43 0.900 23.781 24.882 22.383 -99.200 -91.000 HIS 46 0.900 14.965 23.559 23.333 -99.200 -91.000 PHE 48 1.000 10.392 29.142 20.987 -99.200 -91.000 TYR 50 0.840 20.860 32.604 16.906 -99.200 -91.000 HIS 64 0.900 38.449 25.249 28.021 -99.200 -91.000 TRP 68 1.040 29.356 26.954 19.514 -99.200 -91.000 TRP6 68 1.020 28.035 25.605 20.964 -99.200 -91.000 PHE 77 1.000 10.772 25.026 18.065 -99.200 -91.000 PHE 79 1.000 10.337 22.240 22.251 -99.200 -91.000 HIS 84 0.900 4.156 24.989 32.598 -99.200 -91.000 PHE 85 1.000 11.205 23.400 28.639 -99.200 -91.000 PHE 91 1.000 25.278 9.756 29.338 -99.200 -91.000 HIS 94 0.900 29.370 3.667 20.611 -99.200 -91.000 PHE 96 1.000 24.851 13.137 24.999 -99.200 -91.000 TYR 97 0.840 19.623 6.325 22.382 -99.200 -91.000 PHE 108 1.000 24.810 16.139 18.996 -99.200 -91.000 PHE 117 1.000 28.203 13.800 29.372 -99.200 -91.000 TYR 121 0.840 25.034 25.791 30.688 -99.200 -91.000 PHE 130 1.000 9.480 18.311 35.946 -99.200 -91.000