============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 -0.878 24.641 25.990 -99.200 -91.000 TYR 32 0.840 4.461 29.126 30.444 -99.200 -91.000 PHE 34 1.000 1.580 28.918 24.598 -99.200 -91.000 TRP 36 1.040 0.213 31.666 16.755 -99.200 -91.000 TRP6 36 1.020 1.552 30.145 15.525 -99.200 -91.000 TRP 47 1.040 0.558 41.066 19.069 -99.200 -91.000 TRP6 47 1.020 -1.797 41.289 19.149 -99.200 -91.000 HIS 59 0.900 -8.449 39.171 23.579 -99.200 -91.000 TYR 60 0.840 -8.005 36.217 16.291 -99.200 -91.000 HIS 63 0.900 -4.949 47.159 8.270 -99.200 -91.000 TYR 80 0.840 -2.857 22.863 16.830 -99.200 -91.000 TYR 94 0.840 2.691 33.564 8.753 -99.200 -91.000 PHE 95 1.000 10.338 34.103 13.872 -99.200 -91.000 TYR 100 0.840 4.458 31.216 35.406 -99.200 -91.000 TYR 109 0.840 -3.703 34.837 32.741 -99.200 -91.000 PHE 113 1.000 6.838 40.250 29.656 -99.200 -91.000 HIS 116 0.900 10.072 30.914 27.868 -99.200 -91.000 TRP 117 1.040 10.328 35.266 21.133 -99.200 -91.000 TRP6 117 1.020 9.336 36.502 19.377 -99.200 -91.000 PHE 136 1.000 22.176 30.218 -17.833 -99.200 -91.000 TYR 152 0.840 16.374 29.954 -6.556 -99.200 -91.000 PHE 153 1.000 7.809 28.734 -5.907 -99.200 -91.000 TRP 161 1.040 31.890 29.417 -5.338 -99.200 -91.000 TRP6 161 1.020 32.206 29.693 -7.662 -99.200 -91.000 HIS 171 0.900 31.629 38.651 -0.667 -99.200 -91.000 PHE 173 1.000 26.372 39.545 -4.262 -99.200 -91.000 TYR 183 0.840 12.022 33.285 -4.445 -99.200 -91.000 TYR 201 0.840 39.532 28.732 -8.745 -99.200 -91.000 HIS 207 0.900 15.468 24.493 -5.908 -99.200 -91.000