============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 22 0.840 2.326 34.338 7.508 -99.200 -91.000 TYR 38 0.840 6.298 20.955 0.045 -99.200 -91.000 PHE 51 1.000 27.465 34.966 2.150 -99.200 -91.000 PHE 61 1.000 33.632 33.872 12.696 -99.200 -91.000 PHE 63 1.000 28.591 32.807 6.475 -99.200 -91.000 HIS 78 0.900 35.803 31.030 15.747 -99.200 -91.000 PHE 80 1.000 28.386 33.686 11.934 -99.200 -91.000 PHE 91 1.000 6.885 32.147 4.700 -99.200 -91.000 HIS 93 0.900 -0.145 24.027 3.839 -99.200 -91.000 PHE 97 1.000 2.418 27.666 16.594 -99.200 -91.000 PHE 98 1.000 6.800 32.154 9.724 -99.200 -91.000 TYR 116 0.840 12.631 37.959 15.262 -99.200 -91.000 PHE 124 1.000 12.012 31.952 22.148 -99.200 -91.000 PHE 133 1.000 19.786 36.638 28.962 -99.200 -91.000 PHE 134 1.000 9.940 35.554 25.005 -99.200 -91.000 HIS 158 0.900 6.068 15.100 7.084 -99.200 -91.000 HIS 162 0.900 5.426 7.386 8.535 -99.200 -91.000 TYR 165 0.840 5.907 10.057 16.173 -99.200 -91.000 PHE 182 1.000 3.434 23.894 19.292 -99.200 -91.000 TYR 191 0.840 7.061 28.418 21.687 -99.200 -91.000 PHE 200 1.000 11.292 18.754 19.409 -99.200 -91.000 TRP 201 1.040 9.786 11.676 20.565 -99.200 -91.000 TRP6 201 1.020 7.612 12.093 21.419 -99.200 -91.000 TRP 208 1.040 19.574 22.747 8.241 -99.200 -91.000 TRP6 208 1.020 21.155 21.818 6.735 -99.200 -91.000 PHE 223 1.000 20.639 18.529 32.666 -99.200 -91.000 PHE 234 1.000 25.040 19.173 16.270 -99.200 -91.000 HIS 245 0.900 13.522 16.712 38.397 -99.200 -91.000