============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 -4.319 35.553 41.534 -99.200 -91.000 PHE 29 1.000 -4.022 32.301 46.821 -99.200 -91.000 TYR 32 0.840 -8.284 32.843 39.155 -99.200 -91.000 TRP 33 1.040 -8.696 24.445 40.715 -99.200 -91.000 TRP6 33 1.020 -8.875 22.811 39.018 -99.200 -91.000 TRP 36 1.040 3.837 24.984 44.745 -99.200 -91.000 TRP6 36 1.020 5.610 26.524 44.960 -99.200 -91.000 TRP 47 1.040 1.492 19.667 37.929 -99.200 -91.000 TRP6 47 1.020 0.565 17.645 38.734 -99.200 -91.000 TYR 58 0.840 -9.101 25.067 51.238 -99.200 -91.000 HIS 61 0.900 -6.133 16.076 41.948 -99.200 -91.000 TYR 62 0.840 0.385 16.287 46.885 -99.200 -91.000 PHE 70 1.000 8.572 17.359 46.816 -99.200 -91.000 TYR 82 0.840 2.048 28.827 53.231 -99.200 -91.000 TYR 95 0.840 11.080 22.394 43.355 -99.200 -91.000 TYR 96 0.840 10.124 28.669 37.160 -99.200 -91.000 TYR 108 0.840 -1.146 36.260 34.481 -99.200 -91.000 TRP 109 1.040 4.046 29.741 34.539 -99.200 -91.000 TRP6 109 1.020 5.309 27.744 34.468 -99.200 -91.000 TYR 128 0.840 38.923 37.335 43.785 -99.200 -91.000 TYR 151 0.840 28.726 31.202 42.244 -99.200 -91.000 PHE 152 1.000 27.544 23.345 45.501 -99.200 -91.000 TRP 160 1.040 27.136 45.436 36.804 -99.200 -91.000 TRP6 160 1.020 29.355 45.927 37.448 -99.200 -91.000 TYR 162 0.840 22.613 49.589 46.080 -99.200 -91.000 PHE 180 1.000 34.075 25.385 46.044 -99.200 -91.000 TYR 181 0.840 27.805 25.847 40.112 -99.200 -91.000 TRP 194 1.040 34.600 54.026 37.062 -99.200 -91.000 TRP6 194 1.020 36.747 53.170 36.571 -99.200 -91.000 HIS 205 0.900 25.809 31.668 47.233 -99.200 -91.000