Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.43 L 0.29 D 0.06 G 0.06 F 0.05 K 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.838 HA3 :: 3.787 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 G 0.13 R 0.05 A 0.01 C Shift Assignments>> C :: 176.186 CA :: 55.485 CB :: 43.482 CG :: 25.938 CD1 :: 25.732 CD2 :: 23.874 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.396 HA :: 4.473 HB2 :: 1.623 HB3 :: 1.397 HG :: 1.614 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.836 HD22 :: 0.836 HD23 :: 0.836 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.570 Ave N Shift Values>> N :: 121.86(3.9) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.058 CA :: 59.948 CB :: 71.596 CG2 :: 21.915 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.116 HA :: 4.592 HB :: 4.592 HG21 :: 1.294 HG22 :: 1.294 HG23 :: 1.294 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.084 Ave N Shift Values>> N :: 115.42(4.75) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> C :: 177.785 CA :: 58.447 CB :: 41.097 CG :: 27.317 CD1 :: 26.208 CD2 :: 23.923 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.830 HA :: 3.936 HB2 :: 1.852 HB3 :: 1.314 HG :: 1.275 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.850 Ave N Shift Values>> N :: 121.86(3.9) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.19 L 0.16 D 0.11 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 179.619 CA :: 57.511 CB :: 41.169 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.594 HA :: 4.405 HB2 :: 2.596 HB3 :: 2.702 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.225 Ave N Shift Values>> N :: 120.65(3.86) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 I 0.22 K 0.04 Q 0.02 HN Overlap>> 1.Q47 1.Q47 C Shift Assignments>> C :: 178.192 CA :: 59.118 CB :: 30.379 CG :: 36.828 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.754 HA :: 4.016 HB2 :: 2.206 HB3 :: 1.906 HG2 :: 2.204 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.640 Ave N Shift Values>> N :: 120.67(3.48) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 I 0.07 V 0.03 L 0.02 C Shift Assignments>> C :: 180.387 CA :: 55.584 CB :: 19.110 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.622 HA :: 3.818 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.970 Ave N Shift Values>> N :: 123.23(3.54) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 V 0.17 R 0.14 E 0.13 H 0.11 K 0.1 Q 0.05 I 0.03 P 0.02 C Shift Assignments>> C :: 181.045 CA :: 59.878 CB :: 31.247 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.774 HA :: 4.244 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.405 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.V22 1.V22 C Shift Assignments>> C :: 176.414 CA :: 67.101 CB :: 68.772 CG2 :: 21.771 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.553 HA :: 3.987 HB :: 4.328 HG21 :: 1.315 HG22 :: 1.315 HG23 :: 1.315 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.225 Ave N Shift Values>> N :: 115.42(4.75) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.37 E 0.15 R 0.04 C Shift Assignments>> C :: 176.352 CA :: 56.217 CB :: 29.241 CG :: 34.123 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.395 HA :: 4.321 HB2 :: 1.780 HG2 :: 2.709 HG3 :: 2.488 HE21 :: 6.979 HE22 :: 7.603 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.135 NE2 :: 112.127 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.847 CA :: 46.731 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.873 HA2 :: 4.105 HA3 :: 4.178 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.710 Ave N Shift Values>> N :: 109.67(3.87) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.31 Q 0.16 C Shift Assignments>> C :: 175.917 CA :: 57.643 CB :: 31.950 CG :: 27.519 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.396 HA :: 4.015 HB2 :: 2.482 HB3 :: 1.547 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.627 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 V 0.15 I 0.07 C Shift Assignments>> C :: 172.853 CA :: 57.059 CB :: 35.469 CG1 :: 19.362 CG2 :: 23.743 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.099 HA :: 5.170 HB :: 1.980 HG11 :: 0.551 HG12 :: 0.551 HG13 :: 0.551 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 107.024 Ave N Shift Values>> N :: 121.14(4.54) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.963 CA :: 44.992 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.368 HA2 :: 5.028 HA3 :: 3.703 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.178 Ave N Shift Values>> N :: 109.67(3.87) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.72 E 0.21 K 0.05 C Shift Assignments>> C :: 176.083 CA :: 55.504 CB :: 31.946 CG :: 33.883 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.795 HA :: 4.963 HB2 :: 1.635 HB3 :: 1.916 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.201 Ave N Shift Values>> N :: 120.67(3.48) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 176.704 CA :: 59.989 CB :: 74.089 CG2 :: 22.335 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.658 HA :: 4.847 HB :: 3.852 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.253 Ave N Shift Values>> N :: 115.42(4.75) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 I 0.26 F 0.25 E 0.09 C Shift Assignments>> C :: 174.157 CA :: 59.052 CB :: 37.939 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.195 HA :: 4.011 HB2 :: 3.028 HB3 :: 2.986 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.462 Ave N Shift Values>> N :: 120.45(4.18) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 Y 0.24 F 0.16 N 0.1 I 0.06 K 0.02 D 0.02 L 0.01 C Shift Assignments>> C :: 174.882 CA :: 56.443 CB :: 37.083 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.540 HA :: 4.458 HB2 :: 3.196 HB3 :: 2.519 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 112.825 Ave N Shift Values>> N :: 120.52(4.2) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.635 CA :: 46.408 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.839 HA2 :: 3.409 HA3 :: 4.030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.313 Ave N Shift Values>> N :: 109.67(3.87) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.21 F 0.18 D 0.16 Y 0.14 R 0.03 N 0.02 I 0.01 C Shift Assignments>> C :: 174.348 CA :: 56.634 CB :: 41.363 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.338 HA :: 5.077 HB2 :: 3.244 HB3 :: 2.452 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.677 Ave N Shift Values>> N :: 120.52(4.2) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 A 0.15 L 0.11 HN Overlap>> 1.V85 1.V85 C Shift Assignments>> C :: 178.460 CA :: 54.559 CB :: 46.725 CG :: 26.685 CD1 :: 23.083 CD2 :: 27.563 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.664 HA :: 4.902 HB2 :: 1.885 HB3 :: 1.182 HG :: 1.808 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.465 Ave N Shift Values>> N :: 121.86(3.9) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.01 HN Overlap>> 1.T9 1.T9 C Shift Assignments>> C :: 175.104 CA :: 61.300 CB :: 36.202 CG1 :: 21.178 CG2 :: 23.363 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.468 HA :: 4.180 HB :: 1.871 HG11 :: 0.883 HG12 :: 0.883 HG13 :: 0.883 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.204 Ave N Shift Values>> N :: 121.14(4.54) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 175.511 CA :: 52.129 CB :: 17.915 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.903 HA :: 4.255 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.139 Ave N Shift Values>> N :: 123.23(3.54) 1.L24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.89 L 0.1 C Shift Assignments>> C :: 177.384 CA :: 54.972 CB :: 40.917 CG :: 26.670 CD1 :: 19.823 CD2 :: 24.510 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.316 HA :: 3.934 HB2 :: 1.140 HB3 :: 0.880 HG :: 0.681 HD11 :: -0.742(S) HD12 :: -0.742(S) HD13 :: -0.742(S) HD21 :: -0.325(S) HD22 :: -0.325(S) HD23 :: -0.325(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.197 Ave N Shift Values>> N :: 121.86(3.9) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 Q 0.12 R 0.04 E 0.02 C Shift Assignments>> C :: 176.041 CA :: 54.053 CB :: 35.000 CG :: 25.115 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.383 HA :: 4.619 HB2 :: 2.072 HB3 :: 1.674 HG2 :: 1.372 HG3 :: 1.457 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.655 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 174.619 CA :: 60.930 CB :: 68.161 CG2 :: 21.071 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.115 HA :: 4.412 HB :: 4.578 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.841 Ave N Shift Values>> N :: 115.42(4.75) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.29 K 0.12 R 0.11 F 0.05 N 0.05 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.409 CA :: 53.412 CB :: 42.308 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.849 HA :: 4.617 HB2 :: 2.871 HB3 :: 2.649 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.643 Ave N Shift Values>> N :: 120.65(3.86) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 I 0.08 V 0.01 L 0.01 HN Overlap>> 1.L4 1.L4 C Shift Assignments>> C :: 180.329 CA :: 55.381 CB :: 18.671 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.791 HA :: 4.069 HB1 :: 1.452 HB2 :: 1.452 HB3 :: 1.452 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.928 Ave N Shift Values>> N :: 123.23(3.54) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.47 K 0.03 C Shift Assignments>> C :: 179.392 CA :: 59.788 CB :: 29.617 CG :: 37.216 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.175 HA :: 4.039 HB2 :: 2.042 HB3 :: 2.058 HG2 :: 2.146 HG3 :: 2.333 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.498 Ave N Shift Values>> N :: 120.67(3.48) 1.T30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.225 CA :: 67.593 CB :: 68.128 CG2 :: 25.232(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.607 HA :: 3.457 HB :: 3.987 HG21 :: 1.174 HG22 :: 1.174 HG23 :: 1.174 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.731 Ave N Shift Values>> N :: 115.42(4.75) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.39 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.161 CA :: 60.606 CB :: 29.286 CG :: 36.627 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.053 HA :: 3.714 HB2 :: 1.931 HB3 :: 1.913 HG2 :: 1.937 HG3 :: 2.316 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.575 Ave N Shift Values>> N :: 120.67(3.48) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.12 V 0.07 Q 0.03 C Shift Assignments>> C :: 176.718 CA :: 59.006 CB :: 32.369 CG :: 24.874 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.881 HA :: 4.088 HB2 :: 1.927 HB3 :: 1.871 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.151 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.14 G 0.01 C Shift Assignments>> C :: 178.471 CA :: 58.585 CB :: 41.803 CG :: 26.669 CD1 :: 26.799 CD2 :: 24.774 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.472 HA :: 4.217 HB2 :: 1.887 HB3 :: 1.596 HG :: 1.517 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.517 Ave N Shift Values>> N :: 121.86(3.9) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.915 CA :: 67.228 CB :: 31.859 CG1 :: 21.629 CG2 :: 25.560 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.056 HA :: 3.287 HB :: 2.019 HG11 :: 0.829 HG12 :: 0.829 HG13 :: 0.829 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.094 Ave N Shift Values>> N :: 121.14(4.54) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 I 0.07 C Shift Assignments>> C :: 181.417 CA :: 55.117 CB :: 18.202 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.913 HA :: 4.092 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.801 Ave N Shift Values>> N :: 123.23(3.54) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.3 D 0.12 L 0.11 I 0.07 N 0.03 K 0.01 C Shift Assignments>> C :: 179.862 CA :: 57.269 CB :: 39.891 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.817 HA :: 4.402 HB2 :: 2.913 HB3 :: 2.648 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.646 Ave N Shift Values>> N :: 120.65(3.86) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.029 CA :: 64.791 CB :: 36.812 CG1 :: 29.364 CG2 :: 18.029 CD1 :: 13.483 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.892 HA :: 3.721 HB :: 1.939 HG12 :: 1.747 HG13 :: 1.319 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.562 Ave N Shift Values>> N :: 121.46(4.28) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 Y 0.18 N 0.12 F 0.11 K 0.05 I 0.03 Q 0.02 D 0.01 C Shift Assignments>> C :: 178.701 CA :: 55.933 CB :: 36.578 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.925 HA :: 4.722 HB2 :: 3.172 HB3 :: 2.661 HD21 :: 7.486 HD22 :: 7.953 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.245 ND2 :: 110.307 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 I 0.15 V 0.01 C Shift Assignments>> C :: 181.045 CA :: 55.587 CB :: 17.948 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.921 HA :: 4.232 HB1 :: 1.595 HB2 :: 1.595 HB3 :: 1.595 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.855 Ave N Shift Values>> N :: 123.23(3.54) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.77 I 0.12 Q 0.05 K 0.05 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> C :: 180.248 CA :: 58.864 CB :: 30.732 CG :: 36.386 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.463 HA :: 4.275 HB2 :: 2.073 HB3 :: 2.097 HG2 :: 2.394 HG3 :: 2.342 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.975 Ave N Shift Values>> N :: 120.67(3.48) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 R 0.39 K 0.15 Q 0.01 C Shift Assignments>> C :: 176.432 CA :: 60.962 CB :: 30.950 CG :: 27.708 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.501 HA :: 3.444 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.390 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 W 0.14 K 0.14 R 0.09 H 0.07 E 0.06 P 0.06 Q 0.04 I 0.01 C Shift Assignments>> C :: 178.267 CA :: 60.323 CB :: 32.310 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.496 HA :: 4.195 HB2 :: 2.135 HB3 :: 1.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.238 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 I 0.11 HN Overlap>> 1.E40 1.E40 C Shift Assignments>> C :: 181.485 CA :: 55.289 CB :: 17.885 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.512 HA :: 4.286 HB1 :: 1.572 HB2 :: 1.572 HB3 :: 1.572 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.910 Ave N Shift Values>> N :: 123.23(3.54) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.082 CA :: 63.279 CB :: 63.245 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.030 HA :: 4.363 HB2 :: 4.022 HB3 :: 4.009 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.494 Ave N Shift Values>> N :: 116.28(3.52) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 Y 0.22 F 0.13 I 0.08 K 0.04 N 0.03 Q 0.01 C Shift Assignments>> C :: 179.326 CA :: 57.286 CB :: 36.733 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.489 HA :: 4.567 HB2 :: 3.363 HB3 :: 3.144 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.007 Ave N Shift Values>> N :: 120.52(4.2) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.3 E 0.23 I 0.11 R 0.04 C Shift Assignments>> C :: 178.843 CA :: 59.270 CB :: 28.562 CG :: 34.688 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.116 HA :: 4.079 HB2 :: 2.178 HB3 :: 2.478 HG2 :: 2.500 HG3 :: 2.693 HE21 :: 7.025 HE22 :: 7.489 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.229 NE2 :: 111.641 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.36 R 0.19 E 0.03 I 0.03 P 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 178.824 CA :: 59.027 CB :: 27.966 CG :: 33.374 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.752 HA :: 4.223 HB2 :: 2.339 HB3 :: 2.339 HG2 :: 2.513 HG3 :: 2.513 HE21 :: 6.952 HE22 :: 7.612 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.599 NE2 :: 112.599 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 L 0.43 G 0.04 K 0.01 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> C :: 179.974 CA :: 58.016 CB :: 42.623 CG :: 28.058 CD1 :: 24.105 CD2 :: 26.404 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.880 HA :: 4.083 HB2 :: 2.131 HB3 :: 1.318 HG :: 1.995 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.526 Ave N Shift Values>> N :: 121.86(3.9) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 I 0.16 HN Overlap>> 1.W84 1.W84 C Shift Assignments>> C :: 179.447 CA :: 55.549 CB :: 17.794 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.836 HA :: 3.822 HB1 :: 1.547 HB2 :: 1.547 HB3 :: 1.547 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.594 Ave N Shift Values>> N :: 123.23(3.54) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 W 0.16 R 0.15 V 0.15 H 0.12 E 0.11 Q 0.06 HN Overlap>> 1.N53 1.L48 1.N53 1.L48 C Shift Assignments>> C :: 180.220 CA :: 58.986 CB :: 32.158 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.881 HA :: 4.212 HB2 :: 2.033 HB3 :: 2.033 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.424 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.38 E 0.13 R 0.04 I 0.02 C Shift Assignments>> C :: 176.726 CA :: 58.199 CB :: 29.093 CG :: 34.005 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.905 HA :: 4.181 HB2 :: 2.182 HG2 :: 2.519 HG3 :: 2.435 HE21 :: 7.452 HE22 :: 7.082 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.824 NE2 :: 112.486 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.12 N 0.09 F 0.09 Y 0.07 R 0.01 C Shift Assignments>> C :: 172.900 CA :: 54.324 CB :: 41.269 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.577 HA :: 4.816 HB2 :: 2.519 HB3 :: 2.802 HD21 :: 8.889 HD22 :: 7.250 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.938 ND2 :: 114.234 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 Y 0.16 E 0.15 F 0.12 D 0.06 L 0.02 I 0.01 K 0.01 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> C :: 174.298 CA :: 54.595 CB :: 37.417 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.980 HA :: 4.486 HB2 :: 3.186 HB3 :: 2.758 HD21 :: 7.607 HD22 :: 6.846 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.436 ND2 :: 112.916 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 A 0.03 C Shift Assignments>> C :: 174.630 CA :: 59.204 CB :: 34.486 CG1 :: 19.165 CG2 :: 21.511 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.066 HA :: 4.767 HB :: 2.598 HG11 :: 0.764 HG12 :: 0.764 HG13 :: 0.764 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.048 Ave N Shift Values>> N :: 121.14(4.54) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.360 CA :: 57.468 CB :: 65.119 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.722 HA :: 4.670 HB2 :: 4.268 HB3 :: 3.970 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.815 Ave N Shift Values>> N :: 116.28(3.52) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.560 CA :: 66.279 CB :: 31.363 CG1 :: 20.539 CG2 :: 23.527 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.904 HA :: 3.586 HB :: 2.144 HG11 :: 1.123 HG12 :: 1.123 HG13 :: 1.123 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.591 Ave N Shift Values>> N :: 121.14(4.54) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.17 D 0.14 K 0.14 I 0.03 N 0.02 R 0.01 C Shift Assignments>> C :: 177.957 CA :: 57.127 CB :: 40.897 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.919 HA :: 4.511 HB2 :: 2.555 HB3 :: 2.664 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.944 Ave N Shift Values>> N :: 120.65(3.86) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 D 0.12 L 0.12 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 179.222 CA :: 57.364 CB :: 40.199 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.722 HA :: 4.356 HB2 :: 2.965 HB3 :: 2.466 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.641 Ave N Shift Values>> N :: 120.65(3.86) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 V 0.14 A 0.02 C Shift Assignments>> C :: 176.587 CA :: 60.736 CB :: 35.486 CG1 :: 25.510 CG2 :: 17.938 CD1 :: 8.290 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.219 HA :: 3.554 HB :: 2.207 HG12 :: 1.751 HG13 :: 1.251 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.456 HD12 :: 0.456 HD13 :: 0.456 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.267 Ave N Shift Values>> N :: 121.46(4.28) 1.A60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.93 I 0.04 V 0.01 C Shift Assignments>> C :: 179.327 CA :: 54.972 CB :: 18.705 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.472 HA :: 2.552(S) HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.746 Ave N Shift Values>> N :: 123.23(3.54) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 K 0.38 Q 0.17 P 0.01 I 0.01 C Shift Assignments>> C :: 179.499 CA :: 58.726 CB :: 32.630 CG :: 26.397 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.719 HA :: 4.296 HB2 :: 1.889 HB3 :: 1.887 HG2 :: 1.474 HG3 :: 1.728 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.156 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 G 0.03 C Shift Assignments>> C :: 179.169 CA :: 57.853 CB :: 42.469 CD1 :: 24.721 CD2 :: 23.493 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.337 HA :: 4.097 HB2 :: 2.026 HB3 :: 1.387 HG :: 1.741 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.686 Ave N Shift Values>> N :: 121.86(3.9) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 I 0.1 V 0.01 C Shift Assignments>> C :: 179.301 CA :: 55.446 CB :: 18.429 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.119 HA :: 3.579 HB1 :: 1.237 HB2 :: 1.237 HB3 :: 1.237 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.836 Ave N Shift Values>> N :: 123.23(3.54) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.150 CA :: 47.320 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.990 HA2 :: 3.893 HA3 :: 3.671 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.248 Ave N Shift Values>> N :: 109.67(3.87) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.36 E 0.11 R 0.07 I 0.06 C Shift Assignments>> C :: 179.499 CA :: 59.350 CB :: 28.468 CG :: 34.043 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.046 HA :: 3.975 HB2 :: 2.257 HB3 :: 2.255 HG2 :: 2.522 HG3 :: 2.522 HE21 :: 6.842 HE22 :: 7.423 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.241 NE2 :: 111.610 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 K 0.24 Q 0.19 W 0.08 R 0.07 H 0.06 E 0.03 I 0.01 Y 0.01 C Shift Assignments>> C :: 178.998 CA :: 59.409 CB :: 33.508 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.288 HA :: 4.046 HB2 :: 1.871 HB3 :: 1.587 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.965 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 180.316 CA :: 58.394 CB :: 41.449 CG :: 27.603 CD1 :: 23.133 CD2 :: 25.188 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.980 HA :: 3.856 HB2 :: 2.056 HB3 :: 1.264 HG :: 1.715 HD11 :: 1.034 HD12 :: 1.034 HD13 :: 1.034 HD21 :: 1.041 HD22 :: 1.041 HD23 :: 1.041 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.859 Ave N Shift Values>> N :: 121.86(3.9) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.601 CA :: 66.190 CB :: 31.487 CG1 :: 21.778 CG2 :: 20.634 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.495 HA :: 3.584 HB :: 1.927 HG11 :: 0.681 HG12 :: 0.681 HG13 :: 0.681 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.594 Ave N Shift Values>> N :: 121.14(4.54) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 I 0.05 C Shift Assignments>> C :: 179.373 CA :: 54.947 CB :: 18.394 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.331 HA :: 4.120 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.664 Ave N Shift Values>> N :: 123.23(3.54) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 K 0.17 Q 0.04 C Shift Assignments>> C :: 175.956 CA :: 56.077 CB :: 31.086 CG :: 26.960 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.924 HA :: 4.261 HB2 :: 1.833 HB3 :: 1.914 HG2 :: 1.838 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.348 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 L 0.01 C Shift Assignments>> C :: 177.057 CA :: 53.206 CB :: 19.283 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.970 HA :: 4.237 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.479 Ave N Shift Values>> N :: 123.23(3.54) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.39 Q 0.02 C Shift Assignments>> CA :: 54.604 CB :: 31.410 CG :: 25.497 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.976 HA :: 4.360 HB2 :: 1.434 HB3 :: 1.877 HG2 :: 1.699 HG3 :: 1.487 HE2 :: 3.080 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.557 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.429 CA :: 64.207 CB :: 31.387 CG :: 28.129 CD :: 50.102 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.856 HB2 :: 2.247 HB3 :: 1.804 HG2 :: 2.148 HG3 :: 1.938 HD2 :: 3.839 HD3 :: 3.543 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.21 R 0.09 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.430 CA :: 44.654 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.118 HA2 :: 4.416 HA3 :: 3.420 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.743 Ave N Shift Values>> N :: 109.67(3.87) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.36 K 0.03 L 0.01 C Shift Assignments>> C :: 175.420 CA :: 56.635 CB :: 29.672 CG :: 38.343 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.157 HA :: 4.313 HB2 :: 2.334 HG2 :: 2.023 HG3 :: 2.300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.029 Ave N Shift Values>> N :: 120.67(3.48) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.27 K 0.14 I 0.13 L 0.08 D 0.03 R 0.01 C Shift Assignments>> C :: 177.140 CA :: 59.164 CB :: 41.034 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.341 HA :: 5.245 HB2 :: 2.875 HB3 :: 2.842 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.941 Ave N Shift Values>> N :: 120.52(4.2) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 A 0.18 V 0.04 C Shift Assignments>> C :: 173.852 CA :: 58.707 CB :: 36.643 CG1 :: 18.003 CG2 :: 23.460 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.398 HA :: 5.649 HB :: 2.030 HG11 :: 0.772 HG12 :: 0.772 HG13 :: 0.772 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.688 Ave N Shift Values>> N :: 121.14(4.54) 1.Q78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.5 K 0.38 E 0.07 R 0.03 C Shift Assignments>> C :: 175.754 CA :: 54.289 CB :: 29.417 CG :: 33.796 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.903 HA :: 4.214 HB2 :: 1.335 HG2 :: 1.842 HG3 :: 0.925(S) HE21 :: 6.179 HE22 :: 6.588 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.248 NE2 :: 107.719 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.28 G 0.27 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.643 CA :: 44.022 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.037 HA2 :: 4.369 HA3 :: 3.737 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.062 Ave N Shift Values>> N :: 109.67(3.87) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.287 CA :: 63.229 CB :: 38.069 CG1 :: 27.619 CG2 :: 17.020 CD1 :: 13.633 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.219 HA :: 3.027 HB :: 1.454 HG12 :: 1.133 HG13 :: 0.988 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.022 Ave N Shift Values>> N :: 121.46(4.28) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 E 0.09 Y 0.07 F 0.05 D 0.04 K 0.01 C Shift Assignments>> C :: 176.455 CA :: 52.782 CB :: 36.949 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.027 HA :: 4.439 HB2 :: 2.825 HB3 :: 3.153 HD21 :: 7.699 HD22 :: 7.000 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.187 ND2 :: 111.382 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.051 CA :: 45.414 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.463 HA2 :: 3.560 HA3 :: 4.140 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.195 Ave N Shift Values>> N :: 109.67(3.87) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.11 Q 0.08 C Shift Assignments>> C :: 176.608 CA :: 55.130 CB :: 33.031 CG :: 24.930 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.431 HA :: 4.458 HB2 :: 1.789 HB3 :: 1.681 HG2 :: 1.308 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.656 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.18 R 0.16 H 0.15 Q 0.13 K 0.1 I 0.03 V 0.02 HN Overlap>> 1.A49 1.A49 C Shift Assignments>> C :: 176.912 CA :: 58.137 CB :: 30.101 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.893 HA :: 4.948 HB2 :: 3.115 HB3 :: 3.179 HD1 :: 7.341 HE1 :: 10.218 HZ2 :: 7.101 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.572 NE1 :: 128.885 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 173.480 CA :: 60.004 CB :: 36.033 CG1 :: 19.851 CG2 :: 21.304 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.607 HA :: 4.677 HB :: 2.136 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.534 Ave N Shift Values>> N :: 121.14(4.54) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.18 K 0.05 C Shift Assignments>> C :: 176.491 CA :: 55.000 CB :: 31.001 CG :: 27.463 CD :: 43.729 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.324 HA :: 4.178 HB2 :: 1.228 HB3 :: 1.418 HG2 :: 0.706 HD2 :: 2.944 HD3 :: 2.964 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.671 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.07 V 0.04 Q 0.01 C Shift Assignments>> C :: 175.949 CA :: 56.706 CB :: 32.017 CG :: 24.187 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.858 HA :: 4.008 HB2 :: 1.687 HB3 :: 1.906 HG2 :: 1.271 HG3 :: 1.379 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.667 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.26 K 0.14 I 0.13 L 0.07 D 0.03 R 0.01 C Shift Assignments>> CA :: 59.309 CB :: 41.098 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.912 HA :: 4.480 HB2 :: 3.043 HB3 :: 3.055 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 130.694 Ave N Shift Values>> N :: 120.45(4.18) 2.E1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.F23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 23 Shift Relative Order (SRO) Results: #Consistent: 111 #Suspicious: 0 C Shift Results: #Consistent: 330 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 526 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L24 HD11 = -0.742(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8988e-08 1.L24 HD12 = -0.742(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8988e-08 1.L24 HD13 = -0.742(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8988e-08 1.L24 HD21 = -0.325(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7484e-04 1.L24 HD22 = -0.325(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7484e-04 1.L24 HD23 = -0.325(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7484e-04 1.T30 CG2 = 25.232(S), Expected = 21.55, Std = 1.1100, ChiSquare = 9.0951e-04 1.A60 HA = 2.552(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.0368e-04 1.Q78 HG3 = 0.925(S), Expected = 2.29, Std = 0.2900, ChiSquare = 2.5152e-06