============================================================================= 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. TYR 8 0.840 13.326 62.310 29.770 -99.200 -91.000 HIS 16 0.900 25.427 60.989 50.257 -99.200 -91.000 PHE 25 1.000 20.197 86.992 58.071 -99.200 -91.000 PHE 28 1.000 15.736 76.699 48.355 -99.200 -91.000 PHE 36 1.000 22.911 71.013 40.094 -99.200 -91.000 TYR 41 0.840 18.779 57.214 34.035 -99.200 -91.000 HIS 61 0.900 9.459 82.006 47.256 -99.200 -91.000 PHE 70 1.000 17.327 77.224 42.828 -99.200 -91.000 TYR 74 0.840 23.180 72.591 35.301 -99.200 -91.000 PHE 76 1.000 23.361 69.275 31.460 -99.200 -91.000 TYR 77 0.840 31.073 65.972 34.076 -99.200 -91.000 PHE 78 1.000 25.996 63.848 27.536 -99.200 -91.000 TYR 81 0.840 30.030 58.345 23.496 -99.200 -91.000 HIS 83 0.900 33.023 68.887 30.388 -99.200 -91.000 TYR 90 0.840 16.101 74.627 38.453 -99.200 -91.000 TYR 93 0.840 9.479 81.021 38.109 -99.200 -91.000 PHE 97 1.000 15.098 77.897 24.905 -99.200 -91.000 PHE 107 1.000 28.891 65.774 24.164 -99.200 -91.000 TYR 111 0.840 28.557 77.667 18.031 -99.200 -91.000 TYR 121 0.840 11.353 72.346 42.650 -99.200 -91.000 PHE 126 1.000 13.163 65.984 27.003 -99.200 -91.000 TYR 127 0.840 18.600 69.780 31.626 -99.200 -91.000 PHE 129 1.000 22.643 69.925 26.705 -99.200 -91.000 TYR 130 0.840 17.022 73.236 20.657 -99.200 -91.000 TYR 171 0.840 27.645 53.651 34.937 -99.200 -91.000