============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 17 0.900 32.605 2.904 -1.186 -99.200 -91.000 TYR 31 0.840 50.113 20.605 -0.721 -99.200 -91.000 TYR 37 0.840 38.424 24.746 -5.488 -99.200 -91.000 TYR 38 0.840 44.034 20.247 -8.199 -99.200 -91.000 PHE 63 1.000 30.752 17.489 -6.425 -99.200 -91.000 TRP 73 1.040 35.347 31.371 -7.476 -99.200 -91.000 TRP6 73 1.020 35.415 29.045 -7.247 -99.200 -91.000 TYR 79 0.840 25.723 22.757 -8.921 -99.200 -91.000 PHE 92 1.000 29.012 14.894 -24.456 -99.200 -91.000 PHE 98 1.000 25.481 23.288 -19.351 -99.200 -91.000 TYR 113 0.840 43.801 16.781 -18.567 -99.200 -91.000 TYR 114 0.840 51.148 22.750 -13.440 -99.200 -91.000 HIS 116 0.900 55.661 26.824 -21.211 -99.200 -91.000 PHE 118 1.000 45.931 21.946 -19.935 -99.200 -91.000 HIS 119 0.900 48.765 29.860 -23.046 -99.200 -91.000 PHE 135 1.000 43.417 17.801 -25.946 -99.200 -91.000 TYR 137 0.840 50.314 12.004 -20.453 -99.200 -91.000 HIS 138 0.900 54.369 6.009 -24.031 -99.200 -91.000 TYR 145 0.840 43.567 5.680 -18.453 -99.200 -91.000 PHE 150 1.000 48.295 8.599 -32.583 -99.200 -91.000 TYR 170 0.840 51.378 8.025 -27.797 -99.200 -91.000 TYR 176 0.840 36.778 12.520 -23.444 -99.200 -91.000 PHE 177 1.000 38.312 21.286 -25.677 -99.200 -91.000 TYR 178 0.840 32.828 15.105 -27.713 -99.200 -91.000 TYR 206 0.840 32.223 13.943 -33.211 -99.200 -91.000 TYR 221 0.840 51.076 19.796 -22.050 -99.200 -91.000 TRP 223 1.040 45.221 12.617 -17.967 -99.200 -91.000 TRP6 223 1.020 44.973 10.466 -18.910 -99.200 -91.000 HIS 229 0.900 42.604 3.404 -1.528 -99.200 -91.000 PHE 238 1.000 53.570 16.472 -11.025 -99.200 -91.000 TYR 258 0.840 43.390 39.897 -10.523 -99.200 -91.000 TRP 262 1.040 36.562 35.096 -17.559 -99.200 -91.000 TRP6 262 1.020 36.699 32.736 -17.556 -99.200 -91.000 TYR 280 0.840 43.026 28.659 -2.210 -99.200 -91.000 TYR 283 0.840 48.724 31.878 -4.780 -99.200 -91.000 TYR 293 0.840 56.729 38.819 -15.625 -99.200 -91.000