============================================================================= 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 3 1.000 44.124 1.688 9.184 -99.200 -91.000 TYR 26 0.840 25.709 5.373 5.135 -99.200 -91.000 TYR 28 0.840 17.848 9.278 10.448 -99.200 -91.000 PHE 42 1.000 36.952 12.757 26.034 -99.200 -91.000 HIS 45 0.900 29.085 7.985 34.539 -99.200 -91.000 PHE 47 1.000 26.631 10.397 31.965 -99.200 -91.000 TYR 48 0.840 31.096 10.304 24.497 -99.200 -91.000 HIS 49 0.900 33.946 4.326 27.958 -99.200 -91.000 HIS 59 0.900 47.929 8.695 3.124 -99.200 -91.000 TRP 60 1.040 46.286 15.025 8.394 -99.200 -91.000 TRP6 60 1.020 47.166 16.948 9.437 -99.200 -91.000 HIS 65 0.900 38.247 18.317 9.417 -99.200 -91.000 PHE 70 1.000 31.984 8.557 15.379 -99.200 -91.000 TYR 73 0.840 33.589 1.500 23.687 -99.200 -91.000 TYR 74 0.840 25.512 3.503 24.822 -99.200 -91.000 PHE 75 1.000 31.782 -1.235 28.595 -99.200 -91.000 TYR 77 0.840 24.314 -6.514 34.410 -99.200 -91.000 TRP 80 1.040 16.035 -11.675 31.866 -99.200 -91.000 TRP6 80 1.020 14.525 -11.918 30.067 -99.200 -91.000 TYR 86 0.840 23.428 -0.307 21.759 -99.200 -91.000 PHE 90 1.000 32.526 0.286 12.808 -99.200 -91.000 PHE 91 1.000 30.716 8.400 8.350 -99.200 -91.000 TYR 96 0.840 40.413 9.378 4.299 -99.200 -91.000 PHE 99 1.000 41.661 1.950 0.185 -99.200 -91.000 HIS 122 0.900 23.027 -7.313 22.327 -99.200 -91.000 PHE 123 1.000 26.592 -4.788 15.454 -99.200 -91.000 TRP 128 1.040 18.239 2.560 4.999 -99.200 -91.000 TRP6 128 1.020 20.438 3.433 4.856 -99.200 -91.000 PHE 135 1.000 32.504 -4.278 8.240 -99.200 -91.000 TYR 136 0.840 28.144 -4.073 11.653 -99.200 -91.000 TRP 147 1.040 8.830 -7.723 25.508 -99.200 -91.000 TRP6 147 1.020 10.414 -8.075 27.260 -99.200 -91.000 PHE 150 1.000 5.077 2.547 25.835 -99.200 -91.000 TYR 156 0.840 4.754 14.570 30.363 -99.200 -91.000