============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 4 0.840 6.633 1.481 79.354 -99.200 -91.000 PHE 7 1.000 14.505 3.174 77.255 -99.200 -91.000 PHE 17 1.000 30.234 6.421 72.754 -99.200 -91.000 HIS 33 0.900 15.328 11.236 86.226 -99.200 -91.000 TYR 36 0.840 14.934 8.899 91.283 -99.200 -91.000 PHE 43 1.000 23.933 1.194 104.949 -99.200 -91.000 TRP 46 1.040 24.769 5.654 94.128 -99.200 -91.000 TRP6 46 1.020 23.294 3.839 94.370 -99.200 -91.000 PHE 77 1.000 28.118 9.987 82.925 -99.200 -91.000 PHE 80 1.000 36.155 6.031 91.185 -99.200 -91.000 TYR 86 0.840 28.150 -0.854 102.026 -99.200 -91.000 TRP 90 1.040 24.141 8.952 105.377 -99.200 -91.000 TRP6 90 1.020 23.033 7.160 104.282 -99.200 -91.000 TRP 91 1.040 20.071 2.924 107.132 -99.200 -91.000 TRP6 91 1.020 18.401 2.606 108.752 -99.200 -91.000 PHE 94 1.000 19.137 9.654 103.042 -99.200 -91.000 HIS 95 0.900 17.455 5.595 105.415 -99.200 -91.000 TYR 114 0.840 23.000 -9.245 105.708 -99.200 -91.000 PHE 115 1.000 26.273 -4.205 106.295 -99.200 -91.000 HIS 118 0.900 25.184 -13.194 105.776 -99.200 -91.000 PHE 134 1.000 24.617 5.376 90.006 -99.200 -91.000 TYR 143 0.840 17.865 12.487 79.910 -99.200 -91.000 TYR 145 0.840 23.708 12.494 74.909 -99.200 -91.000 PHE 154 1.000 38.510 0.501 86.530 -99.200 -91.000 TYR 160 0.840 45.010 12.013 84.159 -99.200 -91.000 TRP 166 1.040 35.704 7.233 97.188 -99.200 -91.000 TRP6 166 1.020 35.050 8.958 95.753 -99.200 -91.000 HIS 183 0.900 21.356 -6.699 73.551 -99.200 -91.000 PHE 191 1.000 19.590 -17.100 81.609 -99.200 -91.000