============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 5 1.000 -0.641 2.240 39.458 -99.200 -91.000 TRP 6 1.040 3.287 1.002 42.537 -99.200 -91.000 TRP6 6 1.020 4.239 1.698 40.501 -99.200 -91.000 HIS 15 0.900 10.611 -13.699 47.217 -99.200 -91.000 TYR 20 0.840 1.936 -8.720 48.092 -99.200 -91.000 TYR 21 0.840 8.715 -13.489 43.285 -99.200 -91.000 HIS 29 0.900 29.132 -14.579 30.408 -99.200 -91.000 HIS 40 0.900 20.562 -17.738 34.332 -99.200 -91.000 TYR 42 0.840 21.819 -9.262 34.379 -99.200 -91.000 TYR 46 0.840 9.765 -4.398 37.816 -99.200 -91.000 PHE 47 1.000 10.715 -7.403 48.446 -99.200 -91.000 HIS 56 0.900 8.868 -13.541 57.693 -99.200 -91.000 HIS 58 0.900 16.487 -13.114 52.595 -99.200 -91.000 TRP 66 1.040 18.110 -4.909 48.396 -99.200 -91.000 TRP6 66 1.020 15.909 -5.612 48.837 -99.200 -91.000 TYR 68 0.840 12.000 5.249 46.514 -99.200 -91.000 HIS 69 0.900 12.551 0.981 40.492 -99.200 -91.000 HIS 77 0.900 14.798 -4.488 59.748 -99.200 -91.000 TYR 92 0.840 26.962 -13.922 59.904 -99.200 -91.000 TYR 95 0.840 20.149 -4.286 62.885 -99.200 -91.000 TYR 112 0.840 23.113 -1.189 52.033 -99.200 -91.000 PHE 120 1.000 19.602 -10.176 52.341 -99.200 -91.000 TYR 135 0.840 3.574 1.589 47.268 -99.200 -91.000 PHE 146 1.000 16.981 -16.210 44.623 -99.200 -91.000 TYR 148 0.840 13.289 -19.113 45.025 -99.200 -91.000 PHE 151 1.000 15.515 -17.243 50.317 -99.200 -91.000 PHE 154 1.000 19.712 -18.019 58.363 -99.200 -91.000 TYR 163 0.840 25.333 -16.086 63.660 -99.200 -91.000 HIS 166 0.900 23.606 -9.221 65.749 -99.200 -91.000 TYR 175 0.840 9.062 -17.166 57.787 -99.200 -91.000