============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 5 1.000 -5.440 17.861 66.757 -99.200 -91.000 TRP 6 1.040 -9.833 13.088 72.064 -99.200 -91.000 TRP6 6 1.020 -8.965 11.885 73.909 -99.200 -91.000 PHE 7 1.000 -2.390 15.218 69.235 -99.200 -91.000 PHE 9 1.000 2.521 14.049 70.428 -99.200 -91.000 TYR 13 0.840 -4.057 11.184 56.128 -99.200 -91.000 PHE 15 1.000 3.337 18.171 59.972 -99.200 -91.000 PHE 16 1.000 0.167 17.067 55.813 -99.200 -91.000 TRP 34 1.040 -3.627 21.166 70.735 -99.200 -91.000 TRP6 34 1.020 -2.014 20.845 69.045 -99.200 -91.000 TYR 37 0.840 -6.485 8.305 70.673 -99.200 -91.000 TYR 46 0.840 -4.284 7.090 48.910 -99.200 -91.000 TRP 51 1.040 0.277 11.080 55.253 -99.200 -91.000 TRP6 51 1.020 1.563 9.239 55.994 -99.200 -91.000 PHE 62 1.000 4.443 14.170 56.093 -99.200 -91.000 HIS 68 0.900 5.323 7.658 59.939 -99.200 -91.000 HIS 70 0.900 10.531 7.024 65.404 -99.200 -91.000 PHE 79 1.000 -0.561 17.151 75.532 -99.200 -91.000 TYR 80 0.840 -2.210 13.128 78.096 -99.200 -91.000 TRP 81 1.040 5.718 15.208 84.819 -99.200 -91.000 TRP6 81 1.020 7.253 17.010 84.847 -99.200 -91.000 PHE 93 1.000 6.366 17.451 74.707 -99.200 -91.000 PHE 98 1.000 1.194 16.329 65.883 -99.200 -91.000 TYR 101 0.840 7.493 10.856 64.078 -99.200 -91.000 PHE 102 1.000 4.596 13.491 61.167 -99.200 -91.000 PHE 154 1.000 -13.344 5.465 64.831 -99.200 -91.000 PHE 158 1.000 -13.427 10.707 66.922 -99.200 -91.000 PHE 159 1.000 -10.145 17.489 64.101 -99.200 -91.000 PHE 166 1.000 -17.946 17.113 63.042 -99.200 -91.000 TRP 167 1.040 -11.184 8.735 61.590 -99.200 -91.000 TRP6 167 1.020 -11.929 6.923 60.249 -99.200 -91.000 TRP 169 1.040 -5.883 17.581 56.734 -99.200 -91.000 TRP6 169 1.020 -6.025 17.412 54.386 -99.200 -91.000 TRP 175 1.040 -22.103 20.064 64.460 -99.200 -91.000 TRP6 175 1.020 -23.756 18.659 63.508 -99.200 -91.000 TRP 181 1.040 -25.586 18.795 58.798 -99.200 -91.000 TRP6 181 1.020 -23.559 20.000 59.024 -99.200 -91.000