============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 20 0.900 45.066 48.876 59.365 -99.200 -91.000 PHE 22 1.000 43.325 56.196 50.654 -99.200 -91.000 PHE 27 1.000 47.515 42.337 53.333 -99.200 -91.000 TYR 31 0.840 40.768 38.407 61.141 -99.200 -91.000 PHE 36 1.000 31.950 51.101 66.015 -99.200 -91.000 TYR 39 0.840 45.041 57.664 59.384 -99.200 -91.000 PHE 43 1.000 44.053 60.034 53.933 -99.200 -91.000 TRP 55 1.040 34.068 56.954 61.075 -99.200 -91.000 TRP6 55 1.020 33.863 56.697 63.393 -99.200 -91.000 TYR 62 0.840 27.632 36.537 68.251 -99.200 -91.000 TYR 63 0.840 31.491 43.690 68.352 -99.200 -91.000 TYR 71 0.840 26.116 52.263 59.503 -99.200 -91.000 PHE 81 1.000 31.758 41.379 46.262 -99.200 -91.000 TRP 96 1.040 26.925 43.456 54.806 -99.200 -91.000 TRP6 96 1.020 27.344 44.125 57.021 -99.200 -91.000 PHE 103 1.000 20.481 51.813 61.460 -99.200 -91.000 HIS 131 0.900 32.577 23.661 50.309 -99.200 -91.000 TYR 138 0.840 34.212 44.116 36.792 -99.200 -91.000 TYR 153 0.840 31.807 44.973 41.093 -99.200 -91.000 PHE 169 1.000 39.783 53.861 50.736 -99.200 -91.000 HIS 170 0.900 42.850 58.895 43.952 -99.200 -91.000