============================================================================= 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 11 1.000 -16.115 65.772 -0.654 -99.200 -91.000 HIS 25 0.900 -23.392 57.252 5.794 -99.200 -91.000 PHE 38 1.000 -17.895 66.407 15.640 -99.200 -91.000 TYR 62 0.840 -32.453 71.546 10.773 -99.200 -91.000 PHE 70 1.000 -22.624 74.170 11.124 -99.200 -91.000 PHE 90 1.000 -29.554 75.607 9.634 -99.200 -91.000 TYR 98 0.840 -11.481 71.161 12.944 -99.200 -91.000 TYR 101 0.840 -7.067 73.282 10.411 -99.200 -91.000 TYR 102 0.840 0.759 74.839 8.347 -99.200 -91.000 TYR 103 0.840 -0.944 79.076 10.956 -99.200 -91.000 HIS 110 0.900 -2.347 84.739 20.898 -99.200 -91.000 TYR 114 0.840 -10.770 78.789 17.169 -99.200 -91.000 PHE 115 1.000 -11.225 75.630 21.048 -99.200 -91.000 HIS 124 0.900 -28.188 75.978 17.994 -99.200 -91.000 TYR 127 0.840 -21.693 69.123 22.462 -99.200 -91.000 TYR 129 0.840 -12.662 66.493 16.250 -99.200 -91.000 TYR 131 0.840 -7.495 63.744 15.395 -99.200 -91.000 PHE 150 1.000 -14.813 74.040 24.985 -99.200 -91.000 HIS 162 0.900 -6.300 64.574 27.131 -99.200 -91.000 TYR 166 0.840 -11.091 66.746 28.038 -99.200 -91.000 TYR 176 0.840 -20.444 62.738 23.712 -99.200 -91.000 TYR 201 0.840 -16.293 51.144 8.777 -99.200 -91.000 PHE 226 1.000 -10.631 42.462 22.834 -99.200 -91.000 HIS 228 0.900 -16.222 48.688 14.965 -99.200 -91.000 PHE 238 1.000 -4.716 48.690 0.371 -99.200 -91.000 TYR 245 0.840 -15.571 58.688 1.127 -99.200 -91.000 TYR 250 0.840 -17.967 43.749 2.199 -99.200 -91.000 PHE 251 1.000 -18.571 45.606 6.870 -99.200 -91.000 TYR 254 0.840 -25.901 53.741 2.470 -99.200 -91.000 TYR 258 0.840 -15.963 59.157 -7.366 -99.200 -91.000 PHE 264 1.000 -4.791 61.723 -4.444 -99.200 -91.000