============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 2 0.840 36.455 35.431 31.368 -99.200 -91.000 PHE 8 1.000 25.368 23.871 33.196 -99.200 -91.000 PHE 11 1.000 20.073 24.617 36.421 -99.200 -91.000 TYR 18 0.840 12.392 29.023 35.371 -99.200 -91.000 TYR 19 0.840 23.298 28.921 35.203 -99.200 -91.000 TYR 28 0.840 22.041 33.250 38.581 -99.200 -91.000 PHE 59 1.000 9.926 30.528 31.255 -99.200 -91.000 PHE 61 1.000 16.765 38.260 24.449 -99.200 -91.000 HIS 71 0.900 31.564 41.817 39.383 -99.200 -91.000 HIS 73 0.900 35.439 43.978 37.369 -99.200 -91.000 PHE 74 1.000 36.167 41.218 30.669 -99.200 -91.000 HIS 76 0.900 30.602 38.861 36.167 -99.200 -91.000 TYR 91 0.840 22.485 47.973 32.294 -99.200 -91.000 PHE 109 1.000 38.572 49.471 41.580 -99.200 -91.000 HIS 110 0.900 43.295 46.386 38.657 -99.200 -91.000 TYR 111 0.840 40.739 45.130 35.639 -99.200 -91.000 TYR 118 0.840 38.989 50.762 27.600 -99.200 -91.000 PHE 119 1.000 31.549 47.473 30.307 -99.200 -91.000 HIS 129 0.900 19.961 55.067 45.075 -99.200 -91.000 HIS 144 0.900 20.978 42.553 50.651 -99.200 -91.000 HIS 149 0.900 35.626 41.386 41.708 -99.200 -91.000 TRP 156 1.040 21.365 41.772 41.948 -99.200 -91.000 TRP6 156 1.020 19.726 43.466 42.081 -99.200 -91.000 HIS 163 0.900 10.709 20.377 45.721 -99.200 -91.000 TYR 167 0.840 14.269 25.820 50.755 -99.200 -91.000 TYR 189 0.840 37.136 51.154 45.618 -99.200 -91.000 TYR 196 0.840 37.849 43.641 48.101 -99.200 -91.000 HIS 198 0.900 29.317 47.507 54.797 -99.200 -91.000 PHE 211 1.000 27.635 29.195 47.408 -99.200 -91.000 HIS 215 0.900 33.031 34.475 37.153 -99.200 -91.000 PHE 219 1.000 26.300 28.673 41.278 -99.200 -91.000 TYR 225 0.840 21.977 20.368 34.581 -99.200 -91.000 PHE 236 1.000 21.671 24.104 41.446 -99.200 -91.000 TYR 245 0.840 32.565 31.648 47.189 -99.200 -91.000 PHE 253 1.000 40.190 42.387 52.192 -99.200 -91.000 TYR 254 0.840 40.782 40.570 57.007 -99.200 -91.000