============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 2 0.840 12.478 30.811 13.656 -99.200 -91.000 TRP 9 1.040 30.622 32.379 19.824 -99.200 -91.000 TRP6 9 1.020 31.688 32.439 21.946 -99.200 -91.000 TRP 15 1.040 21.936 19.351 16.421 -99.200 -91.000 TRP6 15 1.020 21.824 21.162 14.903 -99.200 -91.000 TYR 35 0.840 37.997 29.366 17.185 -99.200 -91.000 TYR 40 0.840 31.426 22.739 9.514 -99.200 -91.000 TYR 43 0.840 26.539 23.162 16.177 -99.200 -91.000 PHE 54 1.000 25.781 20.724 5.908 -99.200 -91.000 TYR 57 0.840 29.488 31.865 9.791 -99.200 -91.000 PHE 59 1.000 34.997 37.785 11.323 -99.200 -91.000 PHE 62 1.000 40.236 38.427 2.787 -99.200 -91.000 PHE 75 1.000 34.462 28.491 4.166 -99.200 -91.000 TRP 76 1.040 37.431 22.564 -1.006 -99.200 -91.000 TRP6 76 1.020 35.238 22.605 -1.871 -99.200 -91.000 PHE 85 1.000 24.346 28.266 1.566 -99.200 -91.000 TRP 86 1.040 31.316 25.551 -0.005 -99.200 -91.000 TRP6 86 1.020 32.716 24.525 1.594 -99.200 -91.000 PHE 105 1.000 37.604 33.112 1.976 -99.200 -91.000 TYR 110 0.840 32.763 30.805 -7.423 -99.200 -91.000 TYR 120 0.840 27.186 38.550 7.705 -99.200 -91.000 HIS 123 0.900 24.128 47.971 9.142 -99.200 -91.000 HIS 124 0.900 27.026 51.527 9.214 -99.200 -91.000 TYR 126 0.840 26.504 46.336 -1.324 -99.200 -91.000 PHE 129 1.000 35.139 45.493 4.181 -99.200 -91.000 PHE 138 1.000 24.556 33.098 -0.840 -99.200 -91.000 TRP 140 1.040 23.512 36.377 5.420 -99.200 -91.000 TRP6 140 1.020 24.703 34.489 6.163 -99.200 -91.000 TYR 144 0.840 21.678 42.791 13.538 -99.200 -91.000 TYR 150 0.840 24.535 49.776 1.127 -99.200 -91.000 TRP 155 1.040 17.219 41.945 6.901 -99.200 -91.000 TRP6 155 1.020 14.912 42.470 6.805 -99.200 -91.000 TYR 157 0.840 14.543 38.220 11.076 -99.200 -91.000 TYR 160 0.840 20.651 40.556 20.963 -99.200 -91.000 TRP 182 1.040 19.712 30.093 -6.752 -99.200 -91.000 TRP6 182 1.020 21.565 30.604 -5.380 -99.200 -91.000 PHE 183 1.000 19.976 30.961 -0.785 -99.200 -91.000