============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 6 1.000 78.886 14.647 19.119 -99.200 -91.000 TRP 7 1.040 76.578 22.845 19.769 -99.200 -91.000 TRP6 7 1.020 78.301 23.992 20.928 -99.200 -91.000 PHE 20 1.000 79.023 18.263 39.998 -99.200 -91.000 TRP 22 1.040 76.570 27.996 44.489 -99.200 -91.000 TRP6 22 1.020 76.851 30.341 44.630 -99.200 -91.000 TYR 34 0.840 87.334 13.684 48.980 -99.200 -91.000 TYR 35 0.840 82.563 20.294 47.645 -99.200 -91.000 TYR 49 0.840 79.797 14.876 25.394 -99.200 -91.000 TRP 58 1.040 82.742 15.014 14.357 -99.200 -91.000 TRP6 58 1.020 80.611 15.110 13.323 -99.200 -91.000 PHE 67 1.000 81.211 10.741 16.565 -99.200 -91.000 TYR 71 0.840 86.414 6.022 21.592 -99.200 -91.000 TRP 74 1.040 84.695 7.797 27.573 -99.200 -91.000 TRP6 74 1.020 84.242 6.002 26.103 -99.200 -91.000 TYR 83 0.840 93.095 12.180 43.728 -99.200 -91.000 PHE 84 1.000 84.799 12.201 44.801 -99.200 -91.000 PHE 96 1.000 94.793 7.272 45.485 -99.200 -91.000 PHE 111 1.000 92.119 7.575 21.125 -99.200 -91.000 TYR 122 0.840 85.582 -7.061 16.900 -99.200 -91.000 PHE 125 1.000 85.329 -5.252 23.884 -99.200 -91.000 PHE 132 1.000 84.646 -2.524 33.618 -99.200 -91.000 TYR 137 0.840 90.559 -8.488 43.080 -99.200 -91.000 TYR 138 0.840 93.627 -4.377 42.557 -99.200 -91.000 TYR 158 0.840 84.703 2.492 47.724 -99.200 -91.000 TRP 169 1.040 82.705 3.709 35.149 -99.200 -91.000 TRP6 169 1.020 85.046 3.967 35.423 -99.200 -91.000 TYR 172 0.840 80.547 4.669 29.519 -99.200 -91.000 PHE 174 1.000 77.439 -5.960 27.464 -99.200 -91.000 TRP 176 1.040 84.921 0.061 21.705 -99.200 -91.000 TRP6 176 1.020 85.514 -1.823 20.389 -99.200 -91.000 TYR 197 0.840 70.385 8.530 30.528 -99.200 -91.000 PHE 206 1.000 81.593 9.553 41.153 -99.200 -91.000 PHE 208 1.000 73.576 17.707 40.553 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================