============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 5 1.000 6.594 -55.852 6.648 -99.200 -91.000 TRP 8 1.040 0.964 -57.706 15.277 -99.200 -91.000 TRP6 8 1.020 -0.183 -56.568 13.545 -99.200 -91.000 TYR 13 0.840 14.298 -59.099 18.385 -99.200 -91.000 HIS 22 0.900 10.940 -74.748 25.998 -99.200 -91.000 PHE 33 1.000 -4.163 -67.677 17.077 -99.200 -91.000 PHE 40 1.000 8.178 -65.976 7.201 -99.200 -91.000 PHE 45 1.000 9.994 -75.038 11.474 -99.200 -91.000 TYR 48 0.840 8.791 -70.669 7.798 -99.200 -91.000 TYR 61 0.840 2.664 -60.275 6.811 -99.200 -91.000 TYR 71 0.840 4.746 -52.491 0.682 -99.200 -91.000 PHE 79 1.000 7.773 -45.299 6.841 -99.200 -91.000 TYR 89 0.840 -1.765 -41.164 11.732 -99.200 -91.000 TYR 90 0.840 -5.327 -37.609 13.129 -99.200 -91.000 PHE 92 1.000 -0.377 -39.949 3.226 -99.200 -91.000 PHE 96 1.000 -5.867 -48.786 5.739 -99.200 -91.000 PHE 103 1.000 1.690 -51.127 -4.641 -99.200 -91.000 PHE 109 1.000 -1.492 -53.024 8.198 -99.200 -91.000 TYR 111 0.840 1.913 -42.129 7.132 -99.200 -91.000 TYR 115 0.840 5.536 -41.496 9.520 -99.200 -91.000 TYR 117 0.840 -0.735 -43.851 21.833 -99.200 -91.000 TYR 123 0.840 -8.408 -52.650 11.022 -99.200 -91.000 PHE 129 1.000 -4.935 -47.892 11.571 -99.200 -91.000 PHE 133 1.000 1.508 -37.435 14.080 -99.200 -91.000 TYR 136 0.840 6.230 -43.215 17.223 -99.200 -91.000 TYR 140 0.840 14.315 -49.137 10.694 -99.200 -91.000 PHE 141 1.000 10.861 -47.732 3.824 -99.200 -91.000 TYR 147 0.840 14.341 -54.942 -0.909 -99.200 -91.000 HIS 148 0.900 15.298 -62.142 6.773 -99.200 -91.000 PHE 149 1.000 6.981 -60.857 5.768 -99.200 -91.000 PHE 157 1.000 1.770 -71.539 -1.269 -99.200 -91.000 PHE 158 1.000 2.863 -64.578 3.773 -99.200 -91.000 TYR 159 0.840 -2.962 -70.712 3.057 -99.200 -91.000 TYR 163 0.840 -9.080 -70.658 16.844 -99.200 -91.000 TYR 177 0.840 4.778 -69.606 18.308 -99.200 -91.000 TYR 182 0.840 0.555 -61.393 25.386 -99.200 -91.000 PHE 189 1.000 -8.385 -66.281 20.365 -99.200 -91.000 HIS 196 0.900 -12.546 -74.476 18.689 -99.200 -91.000 HIS 208 0.900 1.817 -90.046 16.887 -99.200 -91.000 HIS 216 0.900 0.263 -62.114 29.297 -99.200 -91.000 TRP 224 1.040 -8.563 -71.863 28.756 -99.200 -91.000 TRP6 224 1.020 -7.901 -69.607 28.511 -99.200 -91.000 TYR 225 0.840 -2.564 -72.807 26.913 -99.200 -91.000 HIS 231 0.900 8.986 -76.582 28.888 -99.200 -91.000 TYR 244 0.840 -1.255 -78.946 24.027 -99.200 -91.000