============================================================================= 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 8 1.000 45.085 11.635 30.303 -99.200 -91.000 HIS 31 0.900 50.234 19.099 21.001 -99.200 -91.000 PHE 35 1.000 54.537 27.787 31.709 -99.200 -91.000 HIS 37 0.900 44.209 22.934 30.927 -99.200 -91.000 PHE 51 1.000 40.779 14.605 34.120 -99.200 -91.000 PHE 57 1.000 52.855 17.228 37.363 -99.200 -91.000 PHE 69 1.000 52.112 12.198 40.220 -99.200 -91.000 PHE 74 1.000 63.220 -1.833 31.202 -99.200 -91.000 HIS 89 0.900 39.314 11.131 53.603 -99.200 -91.000 PHE 98 1.000 56.201 0.413 38.263 -99.200 -91.000 TYR 99 0.840 48.876 0.125 33.435 -99.200 -91.000 TRP 103 1.040 48.042 3.116 28.013 -99.200 -91.000 TRP6 103 1.020 48.176 3.863 30.249 -99.200 -91.000 PHE 111 1.000 59.047 -2.611 36.213 -99.200 -91.000 TRP 112 1.040 56.547 -0.675 45.420 -99.200 -91.000 TRP6 112 1.020 57.720 0.939 46.659 -99.200 -91.000 PHE 120 1.000 57.255 3.026 56.598 -99.200 -91.000 PHE 121 1.000 58.717 -1.617 63.770 -99.200 -91.000 HIS 124 0.900 69.347 2.264 70.319 -99.200 -91.000 TYR 130 0.840 52.554 -3.238 79.018 -99.200 -91.000 TYR 132 0.840 56.802 -5.122 68.044 -99.200 -91.000 TYR 136 0.840 52.705 -8.376 65.962 -99.200 -91.000 TYR 143 0.840 44.898 0.563 56.379 -99.200 -91.000 PHE 175 1.000 56.357 0.128 68.052 -99.200 -91.000 TYR 183 0.840 61.769 2.494 48.710 -99.200 -91.000 TRP 185 1.040 63.168 4.373 37.122 -99.200 -91.000 TRP6 185 1.020 61.668 2.569 37.413 -99.200 -91.000 PHE 190 1.000 60.208 4.142 41.872 -99.200 -91.000