============================================================================= 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 23 1.000 38.509 42.570 103.511 -99.200 -91.000 TYR 24 0.840 41.004 45.390 100.638 -99.200 -91.000 PHE 38 1.000 44.574 58.411 94.802 -99.200 -91.000 HIS 92 0.900 28.965 35.739 100.591 -99.200 -91.000 TYR 95 0.840 34.076 29.012 96.239 -99.200 -91.000 TYR 101 0.840 39.952 23.248 102.833 -99.200 -91.000 PHE 103 1.000 39.567 33.302 102.726 -99.200 -91.000 PHE 106 1.000 30.115 40.309 100.256 -99.200 -91.000 HIS 116 0.900 42.410 31.518 92.733 -99.200 -91.000 PHE 133 1.000 40.545 25.878 107.586 -99.200 -91.000 PHE 139 1.000 48.674 40.097 97.086 -99.200 -91.000 HIS 145 0.900 28.312 42.391 89.050 -99.200 -91.000 PHE 153 1.000 35.638 53.765 74.688 -99.200 -91.000 PHE 165 1.000 34.495 44.124 80.900 -99.200 -91.000 TRP 181 1.040 33.048 55.251 100.078 -99.200 -91.000 TRP6 181 1.020 31.204 55.831 101.416 -99.200 -91.000 PHE 187 1.000 43.538 49.374 81.690 -99.200 -91.000 PHE 201 1.000 40.044 55.138 75.716 -99.200 -91.000 TYR 206 0.840 41.385 62.103 74.080 -99.200 -91.000 PHE 207 1.000 45.314 65.846 81.834 -99.200 -91.000 PHE 214 1.000 48.847 60.955 83.440 -99.200 -91.000 PHE 215 1.000 44.225 58.310 76.316 -99.200 -91.000 TRP 226 1.040 47.588 56.442 84.961 -99.200 -91.000 TRP6 226 1.020 47.405 58.533 86.098 -99.200 -91.000 PHE 227 1.000 44.764 52.648 78.548 -99.200 -91.000