============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 7 1.040 53.412 25.589 15.156 -99.200 -91.000 TRP6 7 1.020 52.607 25.350 12.963 -99.200 -91.000 TRP 14 1.040 56.828 28.908 3.697 -99.200 -91.000 TRP6 14 1.020 56.277 26.868 2.593 -99.200 -91.000 HIS 24 0.900 61.774 27.036 -2.982 -99.200 -91.000 PHE 33 1.000 49.882 20.407 -12.458 -99.200 -91.000 HIS 36 0.900 50.538 11.831 -7.052 -99.200 -91.000 PHE 43 1.000 45.756 23.208 -11.204 -99.200 -91.000 PHE 46 1.000 48.187 25.960 -15.032 -99.200 -91.000 HIS 48 0.900 48.441 25.027 -22.471 -99.200 -91.000 HIS 64 0.900 47.557 28.000 -9.309 -99.200 -91.000 HIS 81 0.900 46.446 29.771 17.764 -99.200 -91.000 HIS 82 0.900 45.625 26.451 10.384 -99.200 -91.000 HIS 93 0.900 41.700 25.440 -3.229 -99.200 -91.000 HIS 97 0.900 39.580 26.563 -7.190 -99.200 -91.000 TYR 103 0.840 43.074 14.864 -7.179 -99.200 -91.000 PHE 106 1.000 47.479 11.910 -5.042 -99.200 -91.000 HIS 119 0.900 65.843 24.877 -0.055 -99.200 -91.000 PHE 123 1.000 62.227 19.122 4.515 -99.200 -91.000 PHE 138 1.000 46.620 23.154 3.604 -99.200 -91.000 TYR 146 0.840 37.850 20.402 1.189 -99.200 -91.000 PHE 151 1.000 34.643 18.751 -2.114 -99.200 -91.000