============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 57.405 8.158 3.723 -99.200 -91.000 PHE 29 1.000 61.485 13.657 4.425 -99.200 -91.000 TYR 32 0.840 58.957 4.175 7.017 -99.200 -91.000 PHE 33 1.000 68.462 5.016 6.934 -99.200 -91.000 TYR 35 0.840 68.053 2.541 0.762 -99.200 -91.000 TRP 36 1.040 68.394 10.009 -3.780 -99.200 -91.000 TRP6 36 1.020 67.132 11.236 -5.371 -99.200 -91.000 HIS 41 0.900 73.822 2.105 -20.764 -99.200 -91.000 TRP 47 1.040 72.576 2.161 -2.574 -99.200 -91.000 TRP6 47 1.020 74.714 2.058 -1.553 -99.200 -91.000 TYR 54 0.840 65.527 11.937 14.397 -99.200 -91.000 TYR 60 0.840 77.068 9.782 -0.587 -99.200 -91.000 PHE 64 1.000 76.983 5.867 -8.980 -99.200 -91.000 PHE 80 1.000 66.112 19.223 -2.212 -99.200 -91.000 HIS 82 0.900 75.365 19.349 -6.489 -99.200 -91.000 TYR 94 0.840 71.213 9.875 -12.353 -99.200 -91.000 PHE 95 1.000 63.672 5.012 -11.940 -99.200 -91.000 PHE 102 1.000 55.535 1.671 -0.393 -99.200 -91.000 TRP 103 1.040 61.257 1.420 -6.278 -99.200 -91.000 TRP6 103 1.020 63.451 1.431 -7.162 -99.200 -91.000 TYR 122 0.840 67.694 15.238 -45.819 -99.200 -91.000 TYR 145 0.840 66.197 14.479 -33.668 -99.200 -91.000 PHE 146 1.000 71.179 18.282 -27.663 -99.200 -91.000 TRP 154 1.040 54.364 7.910 -41.365 -99.200 -91.000 TRP6 154 1.020 55.606 8.431 -43.299 -99.200 -91.000 HIS 164 0.900 57.127 -1.387 -38.003 -99.200 -91.000 PHE 166 1.000 62.530 1.276 -37.616 -99.200 -91.000 TYR 175 0.840 69.878 12.483 -29.528 -99.200 -91.000 TRP 188 1.040 53.058 7.151 -52.494 -99.200 -91.000 TRP6 188 1.020 54.929 6.250 -53.619 -99.200 -91.000 HIS 199 0.900 64.148 19.287 -32.240 -99.200 -91.000