============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 17 1.000 15.376 9.135 2.028 -99.200 -91.000 TYR 42 0.840 14.680 -2.789 6.462 -99.200 -91.000 HIS 43 0.900 12.431 -2.934 16.970 -99.200 -91.000 HIS 44 0.900 13.300 2.605 15.840 -99.200 -91.000 PHE 45 1.000 11.695 4.762 10.510 -99.200 -91.000 PHE 58 1.000 6.980 20.501 2.557 -99.200 -91.000 PHE 63 1.000 -0.552 21.521 -0.793 -99.200 -91.000 TYR 66 0.840 0.658 26.508 0.388 -99.200 -91.000 TYR 88 0.840 10.784 32.566 -0.149 -99.200 -91.000 HIS 95 0.900 17.445 23.394 3.407 -99.200 -91.000 TYR 101 0.840 6.138 19.171 -2.799 -99.200 -91.000 HIS 107 0.900 12.127 8.930 -8.011 -99.200 -91.000 PHE 114 1.000 5.662 7.884 -2.189 -99.200 -91.000 TYR 116 0.840 1.264 11.650 -0.589 -99.200 -91.000 PHE 124 1.000 1.431 25.607 -5.203 -99.200 -91.000 TRP 128 1.040 -0.327 28.701 -3.950 -99.200 -91.000 TRP6 128 1.020 1.627 30.007 -3.732 -99.200 -91.000 PHE 140 1.000 -2.907 39.686 -7.272 -99.200 -91.000 PHE 150 1.000 -0.210 27.334 -10.774 -99.200 -91.000 PHE 152 1.000 7.844 34.349 -11.357 -99.200 -91.000 TRP 158 1.040 8.146 24.236 -3.306 -99.200 -91.000 TRP6 158 1.020 7.429 24.943 -1.162 -99.200 -91.000 TRP 163 1.040 19.570 30.448 -2.940 -99.200 -91.000 TRP6 163 1.020 19.091 31.996 -1.189 -99.200 -91.000 TYR 164 0.840 16.858 30.253 4.346 -99.200 -91.000 TYR 179 0.840 9.105 34.956 -4.952 -99.200 -91.000