============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 9 1.000 73.935 -18.957 53.936 -99.200 -91.000 HIS 32 0.900 84.097 -24.569 60.168 -99.200 -91.000 PHE 36 1.000 85.922 -32.189 47.518 -99.200 -91.000 HIS 38 0.900 75.825 -30.261 53.011 -99.200 -91.000 PHE 50 1.000 69.188 -23.068 52.147 -99.200 -91.000 PHE 56 1.000 79.366 -22.472 44.101 -99.200 -91.000 PHE 68 1.000 76.579 -18.043 42.134 -99.200 -91.000 PHE 73 1.000 85.811 -1.509 46.032 -99.200 -91.000 HIS 88 0.900 59.415 -21.206 35.041 -99.200 -91.000 PHE 97 1.000 77.494 -5.560 42.773 -99.200 -91.000 TYR 98 0.840 73.202 -6.864 50.040 -99.200 -91.000 TRP 102 1.040 75.634 -9.991 55.221 -99.200 -91.000 TRP6 102 1.020 75.106 -10.774 53.042 -99.200 -91.000 PHE 110 1.000 80.465 -2.106 43.909 -99.200 -91.000 TRP 111 1.040 74.771 -4.982 36.665 -99.200 -91.000 TRP6 111 1.020 75.753 -6.245 34.955 -99.200 -91.000 PHE 119 1.000 71.785 -8.716 25.595 -99.200 -91.000 PHE 120 1.000 68.649 -3.974 19.076 -99.200 -91.000 HIS 123 0.900 77.085 -2.939 9.794 -99.200 -91.000 TYR 129 0.840 56.453 -6.132 8.272 -99.200 -91.000 TYR 131 0.840 64.370 -1.643 15.958 -99.200 -91.000 TYR 135 0.840 60.838 0.724 19.861 -99.200 -91.000 TYR 142 0.840 60.657 -9.608 30.793 -99.200 -91.000 PHE 174 1.000 65.384 -6.703 15.968 -99.200 -91.000 TYR 182 0.840 78.818 -6.837 31.124 -99.200 -91.000 TRP 184 1.040 85.312 -8.047 40.802 -99.200 -91.000 TRP6 184 1.020 83.476 -6.595 41.179 -99.200 -91.000 PHE 189 1.000 80.528 -8.365 37.975 -99.200 -91.000