============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 49.171-163.678 39.954 -99.200 -91.000 TYR 5 0.840 53.621-162.199 31.601 -99.200 -91.000 PHE 20 1.000 86.103-162.737 19.499 -99.200 -91.000 TYR 33 0.840 62.000-145.636 41.531 -99.200 -91.000 TYR 39 0.840 77.713-162.788 41.252 -99.200 -91.000 PHE 44 1.000 71.989-168.768 34.247 -99.200 -91.000 PHE 57 1.000 58.032-162.925 35.514 -99.200 -91.000 PHE 68 1.000 69.336-174.391 24.853 -99.200 -91.000 TRP 74 1.040 65.505-185.325 28.464 -99.200 -91.000 TRP6 74 1.020 64.910-187.601 28.666 -99.200 -91.000 TYR 75 0.840 70.737-182.823 19.546 -99.200 -91.000 HIS 76 0.900 74.463-183.818 24.860 -99.200 -91.000 PHE 77 1.000 69.778-188.973 28.918 -99.200 -91.000 HIS 79 0.900 68.463-186.954 18.282 -99.200 -91.000 HIS 95 0.900 59.957-175.499 16.580 -99.200 -91.000 TYR 98 0.840 54.326-169.523 17.516 -99.200 -91.000 PHE 102 1.000 47.911-168.238 20.867 -99.200 -91.000 PHE 103 1.000 50.857-167.260 31.358 -99.200 -91.000 TYR 105 0.840 58.844-169.772 28.637 -99.200 -91.000 TYR 106 0.840 57.261-158.711 29.384 -99.200 -91.000 HIS 108 0.900 66.237-159.555 23.226 -99.200 -91.000 TYR 123 0.840 71.692-168.334 15.561 -99.200 -91.000 PHE 125 1.000 66.561-167.520 20.063 -99.200 -91.000 TYR 131 0.840 65.529-168.794 14.843 -99.200 -91.000 PHE 149 1.000 80.059-147.543 22.324 -99.200 -91.000 PHE 156 1.000 84.844-149.918 12.231 -99.200 -91.000 TYR 160 0.840 80.243-142.084 4.992 -99.200 -91.000 TYR 173 0.840 84.100-158.390 13.559 -99.200 -91.000 PHE 187 1.000 76.897-154.593 30.100 -99.200 -91.000 HIS 194 0.900 67.697-148.309 32.421 -99.200 -91.000 PHE 215 1.000 81.923-159.308 39.172 -99.200 -91.000 TYR 216 0.840 86.252-156.867 33.570 -99.200 -91.000