============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 9 1.000 -25.692 49.866 -7.220 -99.200 -91.000 TYR 19 0.840 -4.211 39.499 -4.354 -99.200 -91.000 TYR 34 0.840 -15.829 31.400 -6.045 -99.200 -91.000 TYR 44 0.840 -6.456 33.773 -2.594 -99.200 -91.000 PHE 47 1.000 -14.808 36.389 -10.328 -99.200 -91.000 TRP 64 1.040 -21.267 56.702 -4.917 -99.200 -91.000 TRP6 64 1.020 -22.214 54.868 -6.070 -99.200 -91.000 TYR 68 0.840 -12.193 42.098 1.644 -99.200 -91.000 PHE 86 1.000 -34.814 47.423 11.467 -99.200 -91.000 PHE 93 1.000 -24.071 65.948 9.375 -99.200 -91.000 HIS 99 0.900 -20.627 49.678 12.961 -99.200 -91.000 TYR 103 0.840 -21.717 44.550 16.813 -99.200 -91.000 TYR 110 0.840 -26.292 35.462 12.748 -99.200 -91.000 PHE 114 1.000 -19.888 36.319 3.710 -99.200 -91.000 TYR 115 0.840 -25.159 42.059 11.142 -99.200 -91.000 TRP 127 1.040 -18.512 57.557 9.378 -99.200 -91.000 TRP6 127 1.020 -18.132 59.339 10.877 -99.200 -91.000 TYR 153 0.840 3.201 48.115 3.180 -99.200 -91.000 TRP 172 1.040 6.240 49.158 -8.641 -99.200 -91.000 TRP6 172 1.020 4.717 50.917 -9.015 -99.200 -91.000 PHE 177 1.000 5.615 53.944 -4.509 -99.200 -91.000 PHE 180 1.000 10.461 48.341 -2.134 -99.200 -91.000 PHE 182 1.000 9.300 38.320 1.352 -99.200 -91.000 HIS 211 0.900 -0.811 35.401 2.465 -99.200 -91.000 TRP 212 1.040 -3.681 34.872 8.580 -99.200 -91.000 TRP6 212 1.020 -3.992 35.684 6.382 -99.200 -91.000 HIS 214 0.900 4.076 29.675 8.233 -99.200 -91.000 HIS 228 0.900 19.611 37.814 4.510 -99.200 -91.000 TRP 231 1.040 8.840 48.146 8.237 -99.200 -91.000 TRP6 231 1.020 7.421 48.646 6.413 -99.200 -91.000 PHE 232 1.000 5.036 45.133 8.119 -99.200 -91.000 TRP 262 1.040 -7.991 41.102 14.394 -99.200 -91.000 TRP6 262 1.020 -6.603 42.635 15.525 -99.200 -91.000 HIS 266 0.900 -16.169 44.953 21.424 -99.200 -91.000 HIS 284 0.900 -12.713 41.926 5.463 -99.200 -91.000 PHE 290 1.000 -8.970 52.283 9.239 -99.200 -91.000 TYR 295 0.840 -7.893 48.784 23.025 -99.200 -91.000 HIS 297 0.900 -3.260 58.548 20.609 -99.200 -91.000 HIS 299 0.900 -4.279 49.500 25.494 -99.200 -91.000 HIS 300 0.900 1.471 54.414 24.764 -99.200 -91.000 HIS 306 0.900 -5.163 43.995 3.949 -99.200 -91.000 PHE 314 1.000 -12.530 48.193 0.111 -99.200 -91.000 HIS 331 0.900 -3.420 52.757 3.419 -99.200 -91.000 PHE 333 1.000 0.557 52.043 -4.765 -99.200 -91.000 HIS 335 0.900 2.712 46.708 -7.478 -99.200 -91.000 PHE 338 1.000 -4.213 54.323 -6.457 -99.200 -91.000 TYR 355 0.840 -2.018 54.847 -0.595 -99.200 -91.000 HIS 378 0.900 -29.207 41.314 -3.796 -99.200 -91.000