============================================================================= 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. TYR 5 0.840 -9.913 -1.284 18.070 -99.200 -91.000 TYR 14 0.840 1.342 -1.390 25.204 -99.200 -91.000 TYR 22 0.840 -4.973 19.003 33.895 -99.200 -91.000 HIS 23 0.900 -5.013 11.627 29.229 -99.200 -91.000 PHE 24 1.000 0.252 15.870 31.483 -99.200 -91.000 TRP 34 1.040 13.470 4.161 34.594 -99.200 -91.000 TRP6 34 1.020 14.198 6.403 34.389 -99.200 -91.000 HIS 40 0.900 3.908 16.997 22.193 -99.200 -91.000 TYR 42 0.840 9.287 19.505 31.989 -99.200 -91.000 PHE 64 1.000 -5.000 6.713 40.368 -99.200 -91.000 HIS 73 0.900 17.311 12.905 22.657 -99.200 -91.000 TYR 76 0.840 11.079 18.780 22.797 -99.200 -91.000 TRP 121 1.040 -7.958 7.101 28.340 -99.200 -91.000 TRP6 121 1.020 -5.907 6.167 29.047 -99.200 -91.000 TYR 131 0.840 -10.434 16.047 24.410 -99.200 -91.000 TYR 152 0.840 2.448 16.175 8.021 -99.200 -91.000 PHE 161 1.000 6.824 5.647 13.178 -99.200 -91.000 TYR 165 0.840 -5.634 3.551 8.002 -99.200 -91.000 TRP 193 1.040 5.126 16.394 14.316 -99.200 -91.000 TRP6 193 1.020 4.732 17.280 12.154 -99.200 -91.000 TYR 206 0.840 2.016 8.238 15.023 -99.200 -91.000 TYR 212 0.840 15.022 9.313 19.768 -99.200 -91.000 TRP 215 1.040 18.754 9.609 25.963 -99.200 -91.000 TRP6 215 1.020 16.412 9.796 26.184 -99.200 -91.000