============================================================================= 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 6 1.000 26.601 4.409 5.247 -99.200 -91.000 TRP 13 1.040 31.479 3.620 15.706 -99.200 -91.000 TRP6 13 1.020 29.215 3.298 16.304 -99.200 -91.000 TYR 14 0.840 27.161 -3.107 16.855 -99.200 -91.000 TYR 17 0.840 34.855 3.164 19.333 -99.200 -91.000 TRP 24 1.040 16.128 -4.251 23.072 -99.200 -91.000 TRP6 24 1.020 15.415 -3.056 24.983 -99.200 -91.000 TYR 31 0.840 7.142 -12.765 22.679 -99.200 -91.000 TRP 34 1.040 5.861 -7.571 17.440 -99.200 -91.000 TRP6 34 1.020 4.557 -8.699 19.060 -99.200 -91.000 TYR 51 0.840 6.785 0.196 31.823 -99.200 -91.000 PHE 52 1.000 12.506 -7.275 26.107 -99.200 -91.000 PHE 55 1.000 4.019 -6.001 28.409 -99.200 -91.000 PHE 59 1.000 1.738 -11.065 29.017 -99.200 -91.000 HIS 75 0.900 -2.118 -3.168 36.130 -99.200 -91.000 TRP 77 1.040 1.846 0.260 26.516 -99.200 -91.000 TRP6 77 1.020 3.246 -1.093 25.177 -99.200 -91.000 TYR 82 0.840 2.680 8.674 22.079 -99.200 -91.000 TYR 83 0.840 -1.574 3.412 27.916 -99.200 -91.000 HIS 90 0.900 -4.397 -9.109 23.752 -99.200 -91.000 HIS 100 0.900 1.470 -16.136 10.817 -99.200 -91.000 PHE 104 1.000 6.583 -11.996 15.617 -99.200 -91.000 PHE 108 1.000 9.279 -6.921 4.723 -99.200 -91.000 HIS 133 0.900 20.732 -12.000 3.647 -99.200 -91.000 PHE 134 1.000 13.715 -9.015 4.531 -99.200 -91.000 TYR 149 0.840 24.888 8.218 0.971 -99.200 -91.000 TRP 154 1.040 8.403 16.297 6.313 -99.200 -91.000 TRP6 154 1.020 6.094 16.086 5.847 -99.200 -91.000 TRP 165 1.040 11.610 2.913 2.942 -99.200 -91.000 TRP6 165 1.020 12.397 1.194 4.371 -99.200 -91.000 PHE 180 1.000 24.579 -0.959 7.681 -99.200 -91.000 TRP 216 1.040 24.510 20.030 12.409 -99.200 -91.000 TRP6 216 1.020 26.751 20.786 12.424 -99.200 -91.000 TYR 219 0.840 21.496 18.038 3.977 -99.200 -91.000