============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 7 1.000 53.764 11.987 -20.760 -99.200 -91.000 TYR 19 0.840 50.364 7.604 -13.883 -99.200 -91.000 HIS 38 0.900 48.594 21.100 -30.331 -99.200 -91.000 PHE 49 1.000 47.160 3.930 -22.537 -99.200 -91.000 TYR 86 0.840 65.171 7.999 -11.387 -99.200 -91.000 HIS 90 0.900 59.594 7.683 -25.398 -99.200 -91.000 PHE 97 1.000 70.043 18.798 -23.277 -99.200 -91.000 TRP 101 1.040 71.569 21.228 -18.802 -99.200 -91.000 TRP6 101 1.020 71.767 23.238 -20.033 -99.200 -91.000 PHE 104 1.000 73.848 16.985 -14.299 -99.200 -91.000 HIS 112 0.900 66.626 9.269 -23.255 -99.200 -91.000 PHE 126 1.000 69.603 20.774 -36.560 -99.200 -91.000 PHE 143 1.000 64.642 2.905 -17.232 -99.200 -91.000 TYR 192 0.840 35.240 -5.797 -38.690 -99.200 -91.000 HIS 197 0.900 50.691 8.786 -42.197 -99.200 -91.000 TRP 202 1.040 51.777 13.189 -52.371 -99.200 -91.000 TRP6 202 1.020 50.629 12.281 -50.511 -99.200 -91.000 PHE 219 1.000 40.232 -12.478 -50.896 -99.200 -91.000 HIS 221 0.900 30.745 -14.390 -48.614 -99.200 -91.000 PHE 224 1.000 39.067 -6.216 -48.106 -99.200 -91.000 TYR 226 0.840 42.505 3.784 -47.159 -99.200 -91.000 HIS 229 0.900 46.534 9.034 -44.186 -99.200 -91.000 PHE 239 1.000 36.777 9.082 -49.222 -99.200 -91.000 PHE 248 1.000 38.565 -1.049 -49.587 -99.200 -91.000 TYR 256 0.840 48.334 3.832 -29.219 -99.200 -91.000 TYR 314 0.840 43.974 -8.992 -57.508 -99.200 -91.000 TYR 336 0.840 59.666 -5.074 -33.588 -99.200 -91.000 TRP 350 1.040 68.841 -1.264 -8.309 -99.200 -91.000 TRP6 350 1.020 70.099 -0.532 -10.172 -99.200 -91.000 TRP 361 1.040 62.533 -8.621 -23.627 -99.200 -91.000 TRP6 361 1.020 63.159 -7.855 -25.776 -99.200 -91.000