============================================================================= 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. HIS 2 0.900 -5.096 6.705 16.932 -99.200 -91.000 TRP 6 1.040 -6.539 4.519 11.634 -99.200 -91.000 TRP6 6 1.020 -7.708 2.506 11.226 -99.200 -91.000 TRP 8 1.040 2.681 5.901 10.502 -99.200 -91.000 TRP6 8 1.020 4.907 6.693 10.623 -99.200 -91.000 PHE 10 1.000 2.504 1.130 21.303 -99.200 -91.000 PHE 11 1.000 9.313 -2.992 19.950 -99.200 -91.000 TYR 16 0.840 9.583 1.572 15.556 -99.200 -91.000 PHE 17 1.000 4.967 4.156 5.994 -99.200 -91.000 TRP 25 1.040 20.966 7.049 4.863 -99.200 -91.000 TRP6 25 1.020 21.827 9.047 5.785 -99.200 -91.000 HIS 26 0.900 22.245 11.766 1.083 -99.200 -91.000 PHE 50 1.000 9.332 -3.569 16.044 -99.200 -91.000 PHE 61 1.000 19.142 -6.815 0.048 -99.200 -91.000 TRP 63 1.040 18.390 3.611 2.131 -99.200 -91.000 TRP6 63 1.020 20.687 3.058 2.087 -99.200 -91.000 TRP 75 1.040 29.813 3.268 10.489 -99.200 -91.000 TRP6 75 1.020 28.455 3.244 8.554 -99.200 -91.000 TRP 77 1.040 22.520 5.666 15.813 -99.200 -91.000 TRP6 77 1.020 21.397 3.957 14.620 -99.200 -91.000 PHE 87 1.000 22.643 -0.150 19.183 -99.200 -91.000 TYR 90 0.840 22.627 -5.573 17.212 -99.200 -91.000 TRP 91 1.040 28.566 -2.535 11.793 -99.200 -91.000 TRP6 91 1.020 27.668 -1.169 10.083 -99.200 -91.000 PHE 107 1.000 17.205 -2.163 10.055 -99.200 -91.000 TRP 112 1.040 22.267 -3.131 11.784 -99.200 -91.000 TRP6 112 1.020 23.146 -1.587 13.342 -99.200 -91.000 PHE 122 1.000 11.278 -2.082 -0.575 -99.200 -91.000 TRP 123 1.040 11.474 5.460 3.818 -99.200 -91.000 TRP6 123 1.020 10.865 5.442 1.535 -99.200 -91.000