============================================================================= 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 30 1.000 113.586 130.883 71.234 -99.200 -91.000 TYR 37 0.840 115.833 124.643 65.409 -99.200 -91.000 TRP 40 1.040 106.627 128.876 56.508 -99.200 -91.000 TRP6 40 1.020 104.294 128.477 56.498 -99.200 -91.000 TYR 41 0.840 110.490 121.797 53.875 -99.200 -91.000 TYR 54 0.840 117.445 128.614 56.749 -99.200 -91.000 TRP 55 1.040 117.347 128.087 61.906 -99.200 -91.000 TRP6 55 1.020 119.503 128.873 61.342 -99.200 -91.000 PHE 67 1.000 107.669 132.596 47.371 -99.200 -91.000 PHE 76 1.000 106.447 129.421 64.294 -99.200 -91.000 TYR 91 0.840 103.246 127.951 48.589 -99.200 -91.000 TYR 92 0.840 102.465 119.791 51.969 -99.200 -91.000 TYR 97 0.840 111.849 122.315 70.714 -99.200 -91.000 PHE 102 1.000 107.121 117.567 56.108 -99.200 -91.000 PHE 122 1.000 86.726 113.034 20.920 -99.200 -91.000 PHE 139 1.000 88.714 113.965 25.988 -99.200 -91.000 PHE 143 1.000 85.657 122.943 33.435 -99.200 -91.000 TYR 144 0.840 88.642 130.011 37.526 -99.200 -91.000 TRP 152 1.040 77.807 110.825 29.797 -99.200 -91.000 TRP6 152 1.020 78.762 110.645 27.643 -99.200 -91.000 TRP 167 1.040 86.260 118.222 37.650 -99.200 -91.000 TRP6 167 1.020 84.636 116.808 38.623 -99.200 -91.000 TYR 177 0.840 90.170 124.247 38.129 -99.200 -91.000 TYR 190 0.840 78.123 102.502 20.538 -99.200 -91.000 HIS 193 0.900 69.313 102.324 23.972 -99.200 -91.000 TYR 196 0.840 75.078 105.996 22.411 -99.200 -91.000 HIS 202 0.900 81.798 126.808 33.862 -99.200 -91.000 PHE 213 1.000 78.472 109.229 19.348 -99.200 -91.000