============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 11 1.000 1.467 -10.771 45.397 -99.200 -91.000 PHE 13 1.000 0.432 -1.579 49.104 -99.200 -91.000 PHE 28 1.000 0.521 21.440 54.138 -99.200 -91.000 TYR 29 0.840 1.412 14.473 56.648 -99.200 -91.000 PHE 35 1.000 11.516 12.775 48.256 -99.200 -91.000 TYR 52 0.840 29.467 -4.689 58.015 -99.200 -91.000 HIS 68 0.900 27.621 3.535 42.557 -99.200 -91.000 PHE 109 1.000 4.596 7.449 60.984 -99.200 -91.000 PHE 125 1.000 7.105 5.317 65.306 -99.200 -91.000 PHE 129 1.000 8.660 1.976 49.225 -99.200 -91.000 TYR 130 0.840 4.802 1.496 52.644 -99.200 -91.000 TYR 133 0.840 3.322 5.451 47.361 -99.200 -91.000 HIS 145 0.900 19.907 -11.521 47.047 -99.200 -91.000 TYR 151 0.840 11.979 -11.421 40.652 -99.200 -91.000 TRP 153 1.040 6.087 -3.404 45.392 -99.200 -91.000 TRP6 153 1.020 5.655 -1.098 45.669 -99.200 -91.000 PHE 161 1.000 2.357 -5.573 46.612 -99.200 -91.000 HIS 180 0.900 6.717 6.651 37.582 -99.200 -91.000 TYR 188 0.840 10.768 17.699 47.013 -99.200 -91.000 HIS 201 0.900 16.585 16.916 56.253 -99.200 -91.000 PHE 204 1.000 25.742 13.455 60.544 -99.200 -91.000 TYR 207 0.840 27.968 2.492 51.808 -99.200 -91.000 PHE 212 1.000 25.487 9.560 37.386 -99.200 -91.000 HIS 219 0.900 14.233 16.952 16.396 -99.200 -91.000 HIS 220 0.900 18.391 11.951 18.318 -99.200 -91.000