============================================================================= 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 30 1.000 0.862 -33.196 83.379 -99.200 -91.000 TRP 35 1.040 -3.204 -18.714 88.262 -99.200 -91.000 TRP6 35 1.020 -3.365 -17.306 86.369 -99.200 -91.000 TYR 36 0.840 4.260 -19.024 90.720 -99.200 -91.000 PHE 49 1.000 -1.250 -25.332 96.646 -99.200 -91.000 HIS 53 0.900 -6.365 -27.400 95.929 -99.200 -91.000 PHE 62 1.000 -5.251 -12.319 95.171 -99.200 -91.000 HIS 79 0.900 -6.279 -3.066 99.454 -99.200 -91.000 TYR 86 0.840 -1.729 -10.642 90.134 -99.200 -91.000 PHE 87 1.000 4.939 -12.691 85.205 -99.200 -91.000 HIS 96 0.900 11.444 -29.204 79.854 -99.200 -91.000 PHE 99 1.000 7.110 -19.322 85.634 -99.200 -91.000 PHE 120 1.000 10.166 14.916 68.503 -99.200 -91.000 PHE 141 1.000 1.275 4.961 78.210 -99.200 -91.000 TYR 142 0.840 -4.176 4.918 85.624 -99.200 -91.000 TRP 150 1.040 8.354 1.710 65.356 -99.200 -91.000 TRP6 150 1.020 8.787 3.995 64.955 -99.200 -91.000 TYR 174 0.840 1.939 3.596 84.754 -99.200 -91.000 TYR 179 0.840 14.395 5.543 71.428 -99.200 -91.000 TRP 187 1.040 15.138 9.669 56.558 -99.200 -91.000 TRP6 187 1.020 12.974 9.746 57.541 -99.200 -91.000 HIS 190 0.900 11.948 1.728 52.791 -99.200 -91.000 TYR 193 0.840 10.827 4.748 57.091 -99.200 -91.000 HIS 199 0.900 -4.114 3.299 77.064 -99.200 -91.000