============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 7 0.840 21.334 64.114 -4.797 -99.200 -91.000 HIS 14 0.900 3.781 56.814 -1.264 -99.200 -91.000 TRP 16 1.040 11.491 51.973 -5.579 -99.200 -91.000 TRP6 16 1.020 13.759 52.247 -4.983 -99.200 -91.000 HIS 20 0.900 8.167 44.406 -5.896 -99.200 -91.000 PHE 28 1.000 11.772 49.385 -0.119 -99.200 -91.000 TYR 38 0.840 14.193 58.654 14.765 -99.200 -91.000 HIS 41 0.900 10.126 56.506 13.249 -99.200 -91.000 TRP 46 1.040 16.806 48.580 9.465 -99.200 -91.000 TRP6 46 1.020 18.588 47.430 8.397 -99.200 -91.000 HIS 47 0.900 17.377 57.134 15.086 -99.200 -91.000 TYR 48 0.840 22.052 51.256 12.577 -99.200 -91.000 TYR 50 0.840 27.889 61.621 9.663 -99.200 -91.000 TYR 59 0.840 24.884 52.973 15.953 -99.200 -91.000 HIS 65 0.900 29.311 43.050 10.620 -99.200 -91.000 PHE 82 1.000 23.332 55.264 4.113 -99.200 -91.000 HIS 83 0.900 15.454 59.877 6.056 -99.200 -91.000 TRP 111 1.040 19.161 54.117 -4.491 -99.200 -91.000 TRP6 111 1.020 18.900 55.073 -6.623 -99.200 -91.000 PHE 117 1.000 10.131 62.119 8.401 -99.200 -91.000 TRP 120 1.040 8.137 60.096 4.054 -99.200 -91.000 TRP6 120 1.020 8.220 58.534 2.303 -99.200 -91.000 TYR 124 0.840 4.856 60.500 -0.171 -99.200 -91.000 TYR 134 0.840 3.385 63.962 10.389 -99.200 -91.000 TRP 139 1.040 6.655 67.385 11.330 -99.200 -91.000 TRP6 139 1.020 8.694 67.401 10.129 -99.200 -91.000