============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 5 0.840 11.659 23.669 28.180 -99.200 -91.000 PHE 19 1.000 0.652 37.977 15.178 -99.200 -91.000 TRP 26 1.040 4.907 47.066 6.276 -99.200 -91.000 TRP6 26 1.020 4.836 48.481 8.166 -99.200 -91.000 TRP 31 1.040 4.251 39.935 16.130 -99.200 -91.000 TRP6 31 1.020 5.351 37.864 15.771 -99.200 -91.000 PHE 36 1.000 16.971 40.986 14.532 -99.200 -91.000 TYR 44 0.840 10.209 48.553 19.228 -99.200 -91.000 PHE 49 1.000 9.427 49.191 14.006 -99.200 -91.000 PHE 61 1.000 14.587 50.355 14.320 -99.200 -91.000 PHE 66 1.000 15.577 44.821 10.342 -99.200 -91.000 PHE 69 1.000 14.204 34.437 4.896 -99.200 -91.000 PHE 70 1.000 6.699 35.695 8.186 -99.200 -91.000 HIS 97 0.900 16.766 33.034 -10.843 -99.200 -91.000 TYR 99 0.840 14.880 40.232 -3.941 -99.200 -91.000 HIS 106 0.900 21.305 40.093 -4.977 -99.200 -91.000 PHE 114 1.000 8.441 34.141 13.870 -99.200 -91.000 PHE 124 1.000 18.447 27.278 21.363 -99.200 -91.000 PHE 128 1.000 23.104 29.131 15.094 -99.200 -91.000 TYR 134 0.840 22.084 30.676 4.089 -99.200 -91.000 TRP 139 1.040 21.228 37.467 1.144 -99.200 -91.000 TRP6 139 1.020 19.640 38.132 -0.471 -99.200 -91.000 PHE 148 1.000 17.182 30.876 16.883 -99.200 -91.000 PHE 153 1.000 25.566 37.525 5.900 -99.200 -91.000 HIS 155 0.900 29.250 41.865 3.912 -99.200 -91.000 PHE 161 1.000 19.528 47.550 14.379 -99.200 -91.000 PHE 172 1.000 13.825 35.744 22.651 -99.200 -91.000