============================================================================= 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. HIS 7 0.900 33.568 101.710 43.039 -99.200 -91.000 HIS 21 0.900 9.268 87.156 53.823 -99.200 -91.000 TRP 25 1.040 23.435 79.202 53.175 -99.200 -91.000 TRP6 25 1.020 23.791 76.889 52.808 -99.200 -91.000 TRP 35 1.040 21.212 88.595 52.038 -99.200 -91.000 TRP6 35 1.020 20.313 87.990 49.919 -99.200 -91.000 PHE 47 1.000 28.030 78.378 55.040 -99.200 -91.000 PHE 80 1.000 28.542 74.659 51.932 -99.200 -91.000 PHE 91 1.000 29.962 86.942 47.021 -99.200 -91.000 PHE 99 1.000 29.215 75.856 41.249 -99.200 -91.000 TRP 103 1.040 24.587 73.538 40.812 -99.200 -91.000 TRP6 103 1.020 23.895 75.688 40.105 -99.200 -91.000 TRP 125 1.040 33.996 81.999 29.860 -99.200 -91.000 TRP6 125 1.020 31.820 82.087 28.909 -99.200 -91.000 PHE 131 1.000 26.035 73.102 36.887 -99.200 -91.000 PHE 138 1.000 30.695 93.528 37.215 -99.200 -91.000 HIS 142 0.900 39.965 102.484 42.122 -99.200 -91.000 HIS 144 0.900 48.546 105.401 41.682 -99.200 -91.000 PHE 149 1.000 51.832 116.078 33.616 -99.200 -91.000 HIS 158 0.900 36.131 88.142 33.408 -99.200 -91.000 TRP 160 1.040 27.353 81.827 36.147 -99.200 -91.000 TRP6 160 1.020 27.455 79.818 37.396 -99.200 -91.000