============================================================================= 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. HIS 30 0.900 61.168 -6.205 45.755 -99.200 -91.000 TYR 36 0.840 63.631 -4.544 40.403 -99.200 -91.000 TRP 39 1.040 75.566 0.560 35.070 -99.200 -91.000 TRP6 39 1.020 76.581 2.669 35.480 -99.200 -91.000 PHE 40 1.000 68.683 3.211 30.438 -99.200 -91.000 TYR 53 0.840 68.471 -7.634 31.807 -99.200 -91.000 PHE 66 1.000 79.978 -1.379 26.578 -99.200 -91.000 PHE 75 1.000 73.941 0.339 42.556 -99.200 -91.000 TYR 90 0.840 79.229 4.392 28.555 -99.200 -91.000 TYR 91 0.840 73.020 10.213 31.026 -99.200 -91.000 HIS 95 0.900 64.619 -0.690 36.860 -99.200 -91.000 TYR 98 0.840 56.253 4.252 39.656 -99.200 -91.000 PHE 100 1.000 60.498 3.942 37.684 -99.200 -91.000 PHE 102 1.000 66.719 8.562 33.890 -99.200 -91.000 PHE 122 1.000 84.437 23.311 1.477 -99.200 -91.000 PHE 139 1.000 83.267 21.963 6.816 -99.200 -91.000 PHE 143 1.000 90.606 20.002 15.927 -99.200 -91.000 TYR 144 0.840 93.499 13.672 21.543 -99.200 -91.000 TRP 152 1.040 87.289 33.020 9.504 -99.200 -91.000 TRP6 152 1.020 87.016 32.080 7.358 -99.200 -91.000 TRP 167 1.040 86.131 23.062 19.050 -99.200 -91.000 TRP6 167 1.020 85.931 25.421 19.173 -99.200 -91.000 TYR 177 0.840 87.860 15.920 21.068 -99.200 -91.000 TYR 190 0.840 82.485 36.645 -1.360 -99.200 -91.000 HIS 193 0.900 86.482 43.655 1.763 -99.200 -91.000 TYR 196 0.840 86.777 36.982 1.068 -99.200 -91.000 HIS 202 0.900 96.111 20.446 17.298 -99.200 -91.000 PHE 213 1.000 87.583 31.816 -0.984 -99.200 -91.000