============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 6 1.000 40.595 8.044 -3.204 -99.200 -91.000 PHE 21 1.000 33.073 -8.298 -13.434 -99.200 -91.000 PHE 36 1.000 34.785 -4.329 0.691 -99.200 -91.000 PHE 38 1.000 27.501 -6.155 0.337 -99.200 -91.000 TYR 47 0.840 33.289 -3.254 -9.280 -99.200 -91.000 PHE 64 1.000 48.108 -6.391 -1.770 -99.200 -91.000 HIS 75 0.900 52.156 6.605 -9.632 -99.200 -91.000 HIS 96 0.900 48.443 -13.405 -1.733 -99.200 -91.000 PHE 99 1.000 40.063 -16.539 1.505 -99.200 -91.000 TYR 107 0.840 34.396 -9.737 -0.936 -99.200 -91.000 PHE 113 1.000 43.897 -3.703 0.786 -99.200 -91.000 PHE 121 1.000 39.111 0.242 1.760 -99.200 -91.000 TRP 123 1.040 36.523 -1.779 -4.437 -99.200 -91.000 TRP6 123 1.020 38.728 -2.532 -4.032 -99.200 -91.000