============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 11 1.040 19.018 52.182 52.423 -99.200 -91.000 TRP6 11 1.020 18.975 51.905 54.775 -99.200 -91.000 HIS 15 0.900 28.480 52.211 54.873 -99.200 -91.000 TYR 26 0.840 24.644 51.858 57.939 -99.200 -91.000 PHE 35 1.000 10.636 59.244 61.000 -99.200 -91.000 PHE 46 1.000 21.820 59.125 61.206 -99.200 -91.000 HIS 50 0.900 16.793 51.678 69.393 -99.200 -91.000 HIS 58 0.900 12.099 50.254 79.123 -99.200 -91.000 TRP 62 1.040 9.931 55.750 69.460 -99.200 -91.000 TRP6 62 1.020 8.921 57.340 68.034 -99.200 -91.000 PHE 72 1.000 23.866 69.758 53.872 -99.200 -91.000 TYR 84 0.840 9.457 63.992 61.017 -99.200 -91.000 HIS 94 0.900 4.059 59.701 79.175 -99.200 -91.000 PHE 109 1.000 20.524 69.148 69.524 -99.200 -91.000 TYR 110 0.840 20.064 65.302 72.686 -99.200 -91.000 HIS 113 0.900 17.107 71.803 70.543 -99.200 -91.000 PHE 115 1.000 15.455 65.329 74.844 -99.200 -91.000 HIS 120 0.900 26.967 62.377 87.429 -99.200 -91.000 PHE 121 1.000 23.064 55.699 84.047 -99.200 -91.000 PHE 125 1.000 29.190 53.723 78.997 -99.200 -91.000 TYR 126 0.840 38.932 49.587 81.939 -99.200 -91.000 HIS 130 0.900 42.746 56.817 82.441 -99.200 -91.000 TYR 131 0.840 36.539 51.755 85.842 -99.200 -91.000 TYR 135 0.840 25.988 63.958 83.088 -99.200 -91.000 TYR 137 0.840 20.792 65.640 79.973 -99.200 -91.000 TYR 139 0.840 10.186 67.198 75.065 -99.200 -91.000 PHE 140 1.000 9.565 62.894 81.417 -99.200 -91.000