============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 2 1.000 6.415 2.855 49.900 -99.200 -91.000 TYR 25 0.840 3.853 -8.830 34.873 -99.200 -91.000 TYR 27 0.840 3.291 -14.371 30.055 -99.200 -91.000 PHE 44 1.000 25.974 -3.479 44.522 -99.200 -91.000 HIS 47 0.900 32.198 0.905 34.393 -99.200 -91.000 PHE 49 1.000 30.470 -3.432 33.415 -99.200 -91.000 TYR 50 0.840 23.618 -4.244 38.588 -99.200 -91.000 HIS 51 0.900 24.604 3.092 38.623 -99.200 -91.000 HIS 61 0.900 3.298 -3.105 56.885 -99.200 -91.000 TRP 62 1.040 10.696 -7.662 57.185 -99.200 -91.000 TRP6 62 1.020 11.971 -8.730 58.853 -99.200 -91.000 HIS 67 0.900 12.745 -13.332 50.529 -99.200 -91.000 PHE 72 1.000 14.575 -5.421 40.197 -99.200 -91.000 TYR 75 0.840 19.511 4.024 37.803 -99.200 -91.000 TYR 76 0.840 21.232 -0.490 30.920 -99.200 -91.000 PHE 77 1.000 23.014 7.346 34.442 -99.200 -91.000 TYR 79 0.840 26.300 10.921 24.904 -99.200 -91.000 TRP 82 1.040 20.557 12.184 15.507 -99.200 -91.000 TRP6 82 1.020 22.193 10.588 14.947 -99.200 -91.000 TYR 88 0.840 16.964 0.815 27.954 -99.200 -91.000 PHE 92 1.000 8.813 0.666 38.027 -99.200 -91.000 PHE 93 1.000 7.957 -8.314 40.081 -99.200 -91.000 TYR 98 0.840 4.583 -6.709 50.082 -99.200 -91.000 PHE 101 1.000 -0.910 -2.077 49.233 -99.200 -91.000 HIS 124 0.900 14.736 6.893 25.075 -99.200 -91.000 PHE 125 1.000 9.597 3.531 30.238 -99.200 -91.000 TRP 130 1.040 2.945 -9.534 26.729 -99.200 -91.000 TRP6 130 1.020 3.267 -9.417 29.076 -99.200 -91.000 PHE 137 1.000 3.022 2.943 37.251 -99.200 -91.000 TYR 138 0.840 6.285 2.391 32.594 -99.200 -91.000 TRP 147 1.040 18.307 1.498 12.557 -99.200 -91.000 TRP6 147 1.020 17.762 3.754 12.178 -99.200 -91.000 PHE 150 1.000 22.194 -7.480 11.818 -99.200 -91.000 TYR 156 0.840 30.836 -16.103 15.696 -99.200 -91.000