============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 19 0.900 33.497 138.747 0.083 -99.200 -91.000 HIS 23 0.900 33.112 143.530 -2.973 -99.200 -91.000 HIS 26 0.900 29.508 143.670 -7.785 -99.200 -91.000 TRP 27 1.040 33.587 146.863 -6.240 -99.200 -91.000 TRP6 27 1.020 35.119 146.498 -4.472 -99.200 -91.000 TYR 28 0.840 39.192 147.475 -10.558 -99.200 -91.000 PHE 34 1.000 28.496 146.473 -15.021 -99.200 -91.000 TRP 37 1.040 27.784 137.123 -17.088 -99.200 -91.000 TRP6 37 1.020 27.710 135.064 -15.923 -99.200 -91.000 HIS 38 0.900 28.058 145.289 -10.777 -99.200 -91.000 TYR 44 0.840 28.650 133.131 -9.479 -99.200 -91.000 TYR 51 0.840 29.500 127.323 -0.135 -99.200 -91.000 PHE 67 1.000 44.593 130.321 8.956 -99.200 -91.000 PHE 73 1.000 40.735 136.108 6.698 -99.200 -91.000 TYR 86 0.840 37.899 150.344 -13.661 -99.200 -91.000 PHE 101 1.000 32.818 130.149 -8.449 -99.200 -91.000 TYR 103 0.840 42.538 126.727 -4.277 -99.200 -91.000 PHE 108 1.000 34.678 124.392 -0.925 -99.200 -91.000 PHE 112 1.000 33.237 113.384 0.529 -99.200 -91.000 PHE 127 1.000 35.612 120.922 3.752 -99.200 -91.000 HIS 137 0.900 27.083 128.753 -8.612 -99.200 -91.000 TRP 139 1.040 25.959 123.401 -17.038 -99.200 -91.000 TRP6 139 1.020 23.852 123.606 -15.949 -99.200 -91.000