============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 29 1.000 74.885 52.377 84.579 -99.200 -91.000 TYR 32 0.840 69.349 56.463 88.294 -99.200 -91.000 TRP 36 1.040 71.621 54.143 74.889 -99.200 -91.000 TRP6 36 1.020 73.444 55.223 73.850 -99.200 -91.000 TRP 47 1.040 62.924 52.686 73.082 -99.200 -91.000 TRP6 47 1.020 62.733 50.348 72.710 -99.200 -91.000 PHE 55 1.000 66.740 42.841 86.472 -99.200 -91.000 TYR 60 0.840 69.341 45.018 71.753 -99.200 -91.000 PHE 64 1.000 67.114 50.819 65.232 -99.200 -91.000 TYR 80 0.840 80.557 51.295 77.202 -99.200 -91.000 TYR 93 0.840 71.903 56.889 66.605 -99.200 -91.000 PHE 94 1.000 68.525 63.182 71.357 -99.200 -91.000 HIS 100 0.900 55.676 53.856 85.665 -99.200 -91.000 TRP 105 1.040 64.961 62.524 77.528 -99.200 -91.000 TRP6 105 1.020 64.570 61.349 75.508 -99.200 -91.000 PHE 124 1.000 80.927 77.719 45.673 -99.200 -91.000 TYR 147 0.840 78.038 72.303 55.031 -99.200 -91.000 PHE 148 1.000 80.591 63.635 55.467 -99.200 -91.000 TRP 156 1.040 75.888 87.580 58.429 -99.200 -91.000 TRP6 156 1.020 76.832 87.934 56.291 -99.200 -91.000 HIS 166 0.900 65.650 86.093 57.321 -99.200 -91.000 PHE 168 1.000 67.090 80.327 53.758 -99.200 -91.000 TYR 178 0.840 75.372 66.488 55.375 -99.200 -91.000 TYR 196 0.840 77.309 94.580 54.057 -99.200 -91.000 HIS 202 0.900 83.186 71.672 58.495 -99.200 -91.000