============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 5 1.000 28.765 16.326 18.959 -99.200 -91.000 TYR 8 0.840 30.948 17.513 13.555 -99.200 -91.000 TYR 30 0.840 54.633 19.491 30.379 -99.200 -91.000 TRP 39 1.040 56.713 26.470 20.452 -99.200 -91.000 TRP6 39 1.020 56.805 24.481 21.738 -99.200 -91.000 PHE 41 1.000 47.660 25.027 14.265 -99.200 -91.000 PHE 54 1.000 46.929 19.909 6.660 -99.200 -91.000 TRP 57 1.040 56.171 13.720 12.626 -99.200 -91.000 TRP6 57 1.020 57.360 15.385 13.809 -99.200 -91.000 TRP 62 1.040 62.719 15.035 17.518 -99.200 -91.000 TRP6 62 1.020 60.594 14.558 18.444 -99.200 -91.000 PHE 64 1.000 58.245 20.985 10.794 -99.200 -91.000 TRP 76 1.040 49.413 30.358 13.222 -99.200 -91.000 TRP6 76 1.020 49.214 29.671 15.477 -99.200 -91.000 TYR 87 0.840 54.995 30.512 2.954 -99.200 -91.000 TYR 96 0.840 60.031 34.718 17.779 -99.200 -91.000 TYR 97 0.840 58.438 29.470 16.751 -99.200 -91.000 TYR 98 0.840 64.614 30.039 10.443 -99.200 -91.000 HIS 104 0.900 68.016 26.058 14.179 -99.200 -91.000 TYR 111 0.840 57.459 25.822 0.564 -99.200 -91.000 TYR 113 0.840 60.669 25.488 7.689 -99.200 -91.000 PHE 115 1.000 58.782 20.991 15.818 -99.200 -91.000 TYR 125 0.840 54.367 10.424 23.236 -99.200 -91.000 HIS 131 0.900 59.015 9.628 12.849 -99.200 -91.000