Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.093 CA :: 63.174 CB :: 32.293 CG :: 27.01 CD :: 49.654 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 :: 4.448 HB2 :: 1.911 HB3 :: 2.275 HG2 :: 1.962 HG3 :: 1.763 HD2 :: 3.548 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.03 A 0.01 G 0.01 HN Overlap>> 2.L3 2.L3 C Shift Assignments>> C :: 177.892 CA :: 55.639 CB :: 42.161 CG :: 27.004 CD1 :: 23.679 CD2 :: 24.842 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 :: 8.54 HA :: 4.253 HB2 :: 1.475 HB3 :: 1.6 HG :: 1.536 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 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 :: 122.492 Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.978 CA :: 45.327 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.296 HA2 :: 3.91 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.721 Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.873 CA :: 58.431 CB :: 63.633 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.015 HA :: 4.327 HB2 :: 3.818 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 :: 114.315 Ave N Shift Values>> N :: 116.28(3.52) 1.M6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.5 C 0.28 Q 0.16 K 0.03 HN Overlap>> 1.D41 1.D41 C Shift Assignments>> CA :: 52.164 CB :: 32.981 CG :: 31.311 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.124 HA :: 3.899 HB2 :: 0.212(S) HB3 :: 1.439 HG2 :: 2.031 HG3 :: 2.162 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.748 Ave N Shift Values>> N :: 120.09(3.57) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> CA :: 65.259 CB :: 31.858 CG :: 27.55 CD :: 49.982 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 :: 4.218 HB2 :: 1.831 HB3 :: 2.302 HG2 :: 2.043 HD2 :: 3.475 HD3 :: 3.156 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.W8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 W 0.45 C Shift Assignments>> C :: 175.871 CA :: 52.896 CB :: 30.001 CD1 :: 129.238 CZ2 :: 114.913 CH2 :: 125.428 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 :: 5.58(S) HA :: 4.725 HB2 :: 2.705 HB3 :: 3.681 HD1 :: 7.28 HE1 :: 11.096 HZ2 :: 7.68 HH2 :: 6.741 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 :: 108.528 NE1 :: 133.07 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.36 C 0.21 C Shift Assignments>> C :: 174.992 CA :: 57.172 CB :: 39.318 CD2 :: 132.246 CE2 :: 131.3 CZ :: 130.422 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 :: 7.852 HA :: 5.612 HB2 :: 2.755 HB3 :: 3.141 HD2 :: 7.252 HE2 :: 7.432 HZ :: 7.842 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 :: 124.259 Ave N Shift Values>> N :: 120.45(4.18) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 H 0.28 W 0.08 Y 0.01 C Shift Assignments>> C :: 174.807 CA :: 56.404 CB :: 33.213 CD2 :: 116.693 CE1 :: 135.856 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.696 HA :: 4.682 HB2 :: 3.385 HD2 :: 7.298 HE1 :: 7.442 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.424 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.223 CA :: 46.832 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.202(S) HA2 :: 3.42 HA3 :: 3.779 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.606 Ave N Shift Values>> N :: 109.67(3.87) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.28 C Shift Assignments>> C :: 175.743 CA :: 56.108 CB :: 30.738 CG :: 25.729 CD :: 29.408 CE :: 42.275 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 :: 9.024 HA :: 4.484 HB2 :: 1.678 HB3 :: 2.043 HG2 :: 1.159 HG3 :: 1.334 HD2 :: 1.661 HE2 :: 2.965 HE3 :: 3.053 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 :: 129.645 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.991 CA :: 60.064 CB :: 40.429 CG1 :: 25.519 CG2 :: 17.855 CD1 :: 14.558 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 :: 6.894 HA :: 4.75 HB :: 1.922 HG12 :: 0.725 HG13 :: 1.259 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 HD11 :: 0.649 HD12 :: 0.649 HD13 :: 0.649 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 :: 116.991 Ave N Shift Values>> N :: 121.46(4.28) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 174.976 CA :: 61.169 CB :: 71.179 CG2 :: 22.068 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 :: 8.827 HA :: 4.085 HB :: 4.774 HG21 :: 1.366 HG22 :: 1.366 HG23 :: 1.366 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 :: 113.457 Ave N Shift Values>> N :: 115.42(4.75) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 R 0.05 K 0.04 L 0.01 C Shift Assignments>> C :: 177.576 CA :: 61.172 CB :: 28.63 CG :: 28.028 CD :: 41.19 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 :: 9.153 HA :: 3.484 HB3 :: 1.123 HG3 :: 0.955 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 :: 120.936 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.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.2 K 0.08 Q 0.04 C Shift Assignments>> C :: 178.967 CA :: 59.735 CB :: 28.927 CG :: 35.992 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 :: 8.671 HA :: 3.858 HB2 :: 1.842 HB3 :: 2.03 HG2 :: 2.161 HG3 :: 2.208 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 :: 118.62 Ave N Shift Values>> N :: 120.67(3.48) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.22 K 0.21 E 0.12 I 0.05 R 0.03 C Shift Assignments>> C :: 178.748 CA :: 58.88 CB :: 28.489 CG :: 34.485 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 :: 7.98 HA :: 3.873 HB2 :: 1.875 HB3 :: 2.308 HG2 :: 2.404 HE21 :: 6.906 HE22 :: 7.446 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 :: 119.136 NE2 :: 111.423 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.36 C 0.04 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 178.374 CA :: 55.027 CB :: 19.006 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.215 HA :: 3.786 HB1 :: 1.505 HB2 :: 1.505 HB3 :: 1.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.932 Ave N Shift Values>> N :: 123.23(3.54) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.36 E 0.05 C Shift Assignments>> C :: 178.815 CA :: 60.611 CB :: 28.205 CG :: 38.051 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 :: 8.359 HA :: 3.77 HB2 :: 2.025 HB3 :: 2.081 HG2 :: 1.969 HG3 :: 2.771 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 :: 114.4 Ave N Shift Values>> N :: 120.67(3.48) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.43 K 0.06 G 0.05 HN Overlap>> 1.H81 1.H81 C Shift Assignments>> C :: 178.973 CA :: 58.555 CB :: 30.04 CG :: 27.689 CD :: 43.249 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 :: 7.706 HA :: 3.924 HB2 :: 1.811 HG2 :: 1.55 HG3 :: 1.704 HD2 :: 3.08 HD3 :: 3.111 HE :: 7.314 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 :: 118.102 NE :: 84.741 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.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.32 R 0.16 G 0.03 A 0.01 C Shift Assignments>> C :: 178.027 CA :: 56.715 CB :: 42.804 CG :: 26.833 CD1 :: 26.601 CD2 :: 22.886 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 :: 7.603 HA :: 4.161 HB2 :: 1.019 HB3 :: 1.818 HG :: 1.739 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 0.88 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 :: 118.504 Ave N Shift Values>> N :: 121.86(3.9) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.43 A 0.1 C Shift Assignments>> C :: 172.549 CA :: 52.676 CB :: 40.041 CG :: 26.226 CD1 :: 23.619 CD2 :: 27.292 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 :: 7.098 HA :: 4.313 HB2 :: 1.416 HB3 :: 1.575 HG :: 1.668 HD11 :: 0.481 HD12 :: 0.481 HD13 :: 0.481 HD21 :: 0.584 HD22 :: 0.584 HD23 :: 0.584 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 :: 120.368 Ave N Shift Values>> N :: 121.86(3.9) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.26 G 0.01 C Shift Assignments>> CA :: 55.985 CB :: 42.124 CD1 :: 133.359 CE1 :: 118.37 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 :: 7.193 HA :: 4.148 HB2 :: 2.84 HD1 :: 7.131 HE1 :: 6.867 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 :: 119.723 Ave N Shift Values>> N :: 120.52(4.2) 1.P24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.376 CA :: 63.508 CB :: 32 CG :: 27.231 CD :: 50.163 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 :: 4.101 HB2 :: 1.761 HB3 :: 2.067 HG2 :: 1.957 HD2 :: 3.275 HD3 :: 3.319 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.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.31 E 0.26 Q 0.05 C Shift Assignments>> C :: 174.442 CA :: 55.905 CB :: 32.166 CG :: 35.794 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 :: 7.13 HA :: 4.239 HB2 :: 1.868 HG2 :: 1.975 HG3 :: 2.106 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 :: 122.711 Ave N Shift Values>> N :: 120.67(3.48) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.858 CA :: 65.209 CB :: 68.851 CG2 :: 22.621 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 :: 8.686 HA :: 4.008 HB :: 4.038 HG21 :: 1.364 HG22 :: 1.364 HG23 :: 1.364 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 :: 123.934 Ave N Shift Values>> N :: 115.42(4.75) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.287 CA :: 46.015 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.165 HA2 :: 3.594 HA3 :: 4.353 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.848 Ave N Shift Values>> N :: 109.67(3.87) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.33 C 0.22 R 0.06 A 0.02 C Shift Assignments>> C :: 176.738 CA :: 54.774 CB :: 44.631 CG :: 26.845 CD1 :: 27.038 CD2 :: 23.425 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 :: 8.165 HA :: 5.628 HB2 :: 1.448 HB3 :: 2.03 HG :: 1.458 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 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 :: 127.031 Ave N Shift Values>> N :: 121.86(3.9) 1.F30 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 F 0.17 C 0.08 C Shift Assignments>> C :: 171.878 CA :: 56.022 CB :: 45.014 CD1 :: 133.186 CD2 :: 131.142 CE1 :: 131.279 CE2 :: 130.647 CZ :: 129.597 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 :: 8.334 HA :: 6.135 HB2 :: 2.708 HB3 :: 3.035 HD1 :: 7.452 HD2 :: 6.473 HE1 :: 6.722 HE2 :: 6.122 HZ :: 6.549 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 :: 122.521 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HE2 > HA : 0.9969) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.28 L 0.16 R 0.04 C Shift Assignments>> C :: 174.665 CA :: 54.809 CB :: 44.907 CG :: 25.809 CD1 :: 27.719 CD2 :: 24.81 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 :: 9.214 HA :: 4.921 HB2 :: 1.881 HB3 :: 2.037 HG :: 1.614 HD11 :: 0.191 HD12 :: 0.191 HD13 :: 0.191 HD21 :: 0.636 HD22 :: 0.636 HD23 :: 0.636 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 :: 113.638 Ave N Shift Values>> N :: 121.86(3.9) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 173.398 CA :: 61.185 CB :: 35.376 CG1 :: 22.858 CG2 :: 22.962 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 :: 9.427 HA :: 5.437 HB :: 2.401 HG11 :: 1.038 HG12 :: 1.038 HG13 :: 1.038 HG21 :: 1.312 HG22 :: 1.312 HG23 :: 1.312 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 :: 119.542 Ave N Shift Values>> N :: 121.14(4.54) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.23 HN Overlap>> 1.V70 1.V70 C Shift Assignments>> C :: 175.939 CA :: 52.621 CB :: 34.701 CG :: 25.537 CD :: 44.827 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 :: 9.277 HA :: 5.366 HB2 :: 1.361 HB3 :: 2.287 HG2 :: 1.605 HG3 :: 1.787 HD2 :: 3.386 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 :: 122.56 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.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.36 I 0.08 M 0.05 K 0.01 HN Overlap>> 2.Y13 2.R7 2.Y13 2.R7 C Shift Assignments>> C :: 176.217 CA :: 57.679 CB :: 30.424 CG :: 37.424 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 :: 8.321 HA :: 4.44 HB2 :: 1.665 HB3 :: 2.182 HG2 :: 2.381 HG3 :: 2.609 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 :: 122.194 Ave N Shift Values>> N :: 120.67(3.48) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.669 CA :: 57.946 CB :: 62.986 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.328 HA :: 4.443 HB2 :: 3.708 HB3 :: 3.859 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 :: 119.028 Ave N Shift Values>> N :: 116.28(3.52) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.645 CA :: 66.304 CB :: 69.012 CG2 :: 20.206 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 :: 7.964 HA :: 4.256 HB :: 4.522 HG21 :: 1.21 HG22 :: 1.21 HG23 :: 1.21 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 :: 125.144 Ave N Shift Values>> N :: 115.42(4.75) 1.N37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.35 C 0.19 E 0.11 Y 0.11 F 0.08 M 0.06 D 0.04 L 0.01 I 0.01 K 0.01 C Shift Assignments>> C :: 174.991 CA :: 54.312 CB :: 37.303 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 :: 10.571(S) HA :: 4.526 HB2 :: 2.361 HB3 :: 3.49 HD21 :: 6.849 HD22 :: 7.538 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 :: 122.337 ND2 :: 107.969 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 E 0.17 Y 0.16 N 0.16 F 0.11 M 0.06 D 0.03 I 0.02 K 0.01 L 0.01 C Shift Assignments>> CA :: 55.613 CB :: 37.341 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 :: 8.182 HA :: 4.869 HB2 :: 2.813 HB3 :: 3.148 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 :: 120.156 Ave N Shift Values>> N :: 120.52(4.2) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 178.797 CA :: 64.054 CB :: 31.499 CG :: 27.568 CD :: 50.123 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 :: 4.164 HB2 :: 1.897 HB3 :: 2.292 HG2 :: 2.04 HD2 :: 3.445 HD3 :: 3.548 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.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.075 CA :: 45.511 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.056 HA2 :: 3.534 HA3 :: 4.394 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.162 Ave N Shift Values>> N :: 109.67(3.87) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 K 0.12 N 0.07 R 0.06 F 0.05 C 0.04 Y 0.03 HN Overlap>> 1.M6 1.M6 C Shift Assignments>> C :: 176.467 CA :: 53.138 CB :: 42.031 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 :: 8.106 HA :: 5.235 HB2 :: 3.09 HB3 :: 3.167 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 :: 119.654 Ave N Shift Values>> N :: 120.65(3.86) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.25 G 0.06 C Shift Assignments>> C :: 173.303 CA :: 56.641 CB :: 42.774 CD1 :: 132.445 CE1 :: 118.338 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 :: 8.641 HA :: 5.325 HB2 :: 2.766 HB3 :: 3.189 HD1 :: 6.916 HE1 :: 6.697 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 :: 117.145 Ave N Shift Values>> N :: 120.52(4.2) 1.T43 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 172.909 CA :: 61.859 CB :: 70.746 CG2 :: 26.406(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 :: 9.75 HA :: 5.342 HB :: 3.773 HG21 :: 1.586 HG22 :: 1.586 HG23 :: 1.586 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 :: 117.281 Ave N Shift Values>> N :: 115.42(4.75) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.25 C 0.23 G 0.2 A 0.02 C Shift Assignments>> C :: 174.192 CA :: 53.733 CB :: 43.79 CG :: 27.741 CD1 :: 23.8 CD2 :: 27.082 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 :: 9.671 HA :: 4.983 HB2 :: 1.378 HB3 :: 2.092 HG :: 1.47 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 HD21 :: 0.386 HD22 :: 0.386 HD23 :: 0.386 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 :: 129.431 Ave N Shift Values>> N :: 121.86(3.9) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 H 0.14 W 0.12 E 0.12 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 173.079 CA :: 56.353 CB :: 29.241 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.235 HA :: 5.281 HB2 :: 2.448 HB3 :: 2.564 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 128.49 Ave N Shift Values>> N :: 120.17(4.64) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.23 HN Overlap>> 2.V34 2.V34 C Shift Assignments>> C :: 173.007 CA :: 58.962 CB :: 35.974 CG1 :: 22.145 CG2 :: 20.534 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 :: 8.874 HA :: 5.213 HB :: 1.828 HG11 :: 0.867 HG12 :: 0.867 HG13 :: 0.867 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 121.713 Ave N Shift Values>> N :: 121.14(4.54) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.542 CA :: 57.492 CB :: 63.893 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.644 HA :: 4.91 HB2 :: 3.632 HB3 :: 4.513 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 :: 120.515 Ave N Shift Values>> N :: 116.28(3.52) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.15 C 0.07 C Shift Assignments>> C :: 173.723 CA :: 54.985 CB :: 46.343 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.295 HA :: 4.634 HB2 :: 3.123 HB3 :: 3.563 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.529 Ave N Shift Values>> N :: 120.17(4.64) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.29 I 0.12 K 0.06 Q 0.05 R 0.01 C Shift Assignments>> C :: 176.028 CA :: 56.89 CB :: 27.448 CG :: 36.345 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 :: 9.228 HA :: 3.869 HB2 :: 1.966 HB3 :: 2.28 HG2 :: 2.223 HG3 :: 2.345 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 :: 123.556 Ave N Shift Values>> N :: 120.67(3.48) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.332 CA :: 45.399 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.137 HA2 :: 3.361 HA3 :: 4.203 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.022 Ave N Shift Values>> N :: 109.67(3.87) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.42 R 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 173.795 CA :: 54.156 CB :: 35.241 CG :: 23.946 CD :: 28.897 CE :: 42.214 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 :: 7.859 HA :: 4.744 HB2 :: 1.771 HG2 :: 1.271 HG3 :: 1.372 HD2 :: 1.618 HD3 :: 1.659 HE2 :: 2.919 HE3 :: 2.98 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 :: 120.603 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 175.348 CA :: 62.21 CB :: 32.395 CG1 :: 23.648 CG2 :: 22.886 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 :: 8.137 HA :: 4.433 HB :: 1.842 HG11 :: 0.957 HG12 :: 0.957 HG13 :: 0.957 HG21 :: 0.159 HG22 :: 0.159 HG23 :: 0.159 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 :: 120.379 Ave N Shift Values>> N :: 121.14(4.54) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.29 M 0.22 Q 0.1 K 0.04 C Shift Assignments>> C :: 174.064 CA :: 54.608 CB :: 30.769 CG :: 35.749 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 :: 8.921 HA :: 4.282 HB2 :: 1.657 HG2 :: 2.207 HG3 :: 2.609 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 :: 127.617 Ave N Shift Values>> N :: 120.67(3.48) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 H 0.31 W 0.22 Y 0.01 C Shift Assignments>> C :: 174.164 CA :: 55.087 CB :: 33.803 CD2 :: 119.751 CE1 :: 136.305 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.7 HA :: 5.1 HB2 :: 2.489 HB3 :: 2.73 HD2 :: 6.78 HE1 :: 7.069 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.554 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 175.343 CA :: 56.772 CB :: 40.304 CD1 :: 133.492 CE1 :: 118.637 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 :: 9.877 HA :: 5.054 HB2 :: 2.787 HB3 :: 2.853 HD1 :: 6.827 HE1 :: 6.485 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 :: 123.024 Ave N Shift Values>> N :: 120.52(4.2) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.38 K 0.14 G 0.05 C Shift Assignments>> C :: 174.971 CA :: 57.086 CB :: 30.795 CG :: 25.769 CD :: 43.282 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 :: 9.539 HA :: 4.399 HB2 :: 1.348 HB3 :: 1.528 HG2 :: 0.989 HG3 :: 1.16 HD3 :: 2.373 HE :: 6.811 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 :: 126.493 NE :: 86.016 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.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.28 C Shift Assignments>> C :: 174.86 CA :: 60.263 CB :: 38.04 CG1 :: 25.665 CG2 :: 20.12 CD1 :: 15.531 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 :: 9.515 HA :: 4.155 HB :: 2.021 HG13 :: 1.808 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 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 :: 128.36 Ave N Shift Values>> N :: 121.46(4.28) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.37 Q 0.15 E 0.05 C Shift Assignments>> C :: 175.766 CA :: 56.505 CB :: 33.921 CG :: 32.445 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.633 HA :: 4.085 HB2 :: 1.768 HB3 :: 2.068 HG2 :: 2.322 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.874 Ave N Shift Values>> N :: 120.09(3.57) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 175.466 CA :: 55.659 CB :: 39.127 CD1 :: 133.212 CE1 :: 117.626 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 :: 8.959 HA :: 5.573 HB2 :: 2.885 HB3 :: 3.499 HD1 :: 7.201 HE1 :: 6.784 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 :: 126.525 Ave N Shift Values>> N :: 120.52(4.2) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.35 C 0.25 C Shift Assignments>> C :: 173.984 CA :: 55.32 CB :: 30.91 CD2 :: 120.081 CE1 :: 136.802 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.773 HA :: 4.569 HB2 :: 3.126 HD2 :: 7.185 HE1 :: 8.469 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.499 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.47 C 0.01 C Shift Assignments>> C :: 176.416 CA :: 53.293 CB :: 16.537 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.032 HA :: 3.831 HB1 :: 1.114 HB2 :: 1.114 HB3 :: 1.114 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.602 Ave N Shift Values>> N :: 123.23(3.54) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.201 CA :: 60.231 CB :: 62.491 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.112 HA :: 3.967 HB2 :: 4.146 HB3 :: 4.191 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 :: 106.542 Ave N Shift Values>> N :: 116.28(3.52) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.24 R 0.22 G 0.01 C Shift Assignments>> C :: 174.547 CA :: 54.692 CB :: 37.041 CG :: 25.196 CD :: 28.906 CE :: 42.17 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 :: 7.872 HA :: 5.12 HB2 :: 1.907 HB3 :: 1.934 HG2 :: 1.34 HG3 :: 1.409 HD2 :: 1.345 HD3 :: 1.51 HE2 :: 2.765 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 :: 120.173 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.24 L 0.23 C Shift Assignments>> C :: 177.624 CA :: 53.455 CB :: 46.212 CG :: 27.399 CD1 :: 26.109 CD2 :: 25.141 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 :: 9.063 HA :: 5.838 HB2 :: 1.32 HB3 :: 1.554 HG :: 1.613 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 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 :: 119.648 Ave N Shift Values>> N :: 121.86(3.9) 1.S65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.59 S 0.4 C Shift Assignments>> C :: 173.233 CA :: 59.072 CB :: 67.063 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.462 HA :: 4.506 HB2 :: 3.022(S) HB3 :: 3.529 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 :: 112.074 Ave N Shift Values>> N :: 116.28(3.52) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.896 CA :: 62.461 CB :: 39.929 CG1 :: 29.34 CG2 :: 17.247 CD1 :: 13.855 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 :: 9.772 HA :: 4.769 HB :: 1.683 HG12 :: 1.03 HG13 :: 1.605 HG21 :: 0.8 HG22 :: 0.8 HG23 :: 0.8 HD11 :: 0.363 HD12 :: 0.363 HD13 :: 0.363 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 :: 125.283 Ave N Shift Values>> N :: 121.46(4.28) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.26 R 0.13 K 0.1 F 0.04 C 0.04 N 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 176.449 CA :: 53.326 CB :: 42.499 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 :: 8.141 HA :: 4.543 HB2 :: 2.595 HB3 :: 3.07 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 :: 118.277 Ave N Shift Values>> N :: 120.65(3.86) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.42 E 0.1 L 0.02 C Shift Assignments>> C :: 173.957 CA :: 58.706 CB :: 27.791 CG :: 38.108 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 :: 8.532 HA :: 3.218 HB2 :: 2.181 HB3 :: 2.288 HG2 :: 2.006 HG3 :: 2.042 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 :: 114.384 Ave N Shift Values>> N :: 120.67(3.48) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.27 M 0.26 Q 0.05 C Shift Assignments>> C :: 175.769 CA :: 57.387 CB :: 32.132 CG :: 35.686 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 :: 8.471 HA :: 4.403 HB2 :: 1.669 HB3 :: 1.854 HG2 :: 2.057 HG3 :: 2.144 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 :: 118.121 Ave N Shift Values>> N :: 120.67(3.48) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 HN Overlap>> 1.R33 1.R33 C Shift Assignments>> C :: 173.96 CA :: 60.724 CB :: 33.165 CG1 :: 21.228 CG2 :: 21.465 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 :: 9.38 HA :: 4.217 HB :: 1.718 HG11 :: 0.513 HG12 :: 0.513 HG13 :: 0.513 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 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 :: 122.58 Ave N Shift Values>> N :: 121.14(4.54) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.25 G 0.02 C Shift Assignments>> C :: 174.785 CA :: 56.087 CB :: 42.297 CD1 :: 133.316 CE1 :: 117.728 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 :: 8.3 HA :: 4.911 HB2 :: 2.597 HD1 :: 6.797 HE1 :: 6.504 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 :: 126.571 Ave N Shift Values>> N :: 120.52(4.2) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.24 G 0.15 C 0.12 C Shift Assignments>> C :: 175.583 CA :: 56.151 CB :: 43.555 CD1 :: 132.43 CE1 :: 131.036 CZ :: 129.249 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 :: 9.312 HA :: 5.03 HB2 :: 2.555 HB3 :: 3.614 HD1 :: 7.149 HE1 :: 7.143 HZ :: 6.097 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 :: 117.359 Ave N Shift Values>> N :: 120.45(4.18) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.37 M 0.09 I 0.04 K 0.01 C Shift Assignments>> C :: 176.431 CA :: 57.957 CB :: 31.048 CG :: 37.051 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 :: 8.976 HA :: 4.448 HB2 :: 2.101 HB3 :: 2.252 HG2 :: 2.395 HG3 :: 2.497 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 :: 118.819 Ave N Shift Values>> N :: 120.67(3.48) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.34 L 0.12 C 0.05 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 175.01 CA :: 52.172 CB :: 40.446 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 :: 7.546 HA :: 4.613 HB2 :: 3.02 HB3 :: 3.083 HD21 :: 7.126 HD22 :: 7.793 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 :: 108.539 ND2 :: 115.968 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.33 G 0.11 R 0.04 C Shift Assignments>> C :: 177.973 CA :: 57.271 CB :: 43.649 CG :: 26.936 CD1 :: 24.916 CD2 :: 24.455 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 :: 9.046 HA :: 3.835 HB2 :: 1.451 HB3 :: 1.854 HG :: 1.35 HD11 :: 0.1 HD12 :: 0.1 HD13 :: 0.1 HD21 :: 0.574 HD22 :: 0.574 HD23 :: 0.574 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 :: 118.256 Ave N Shift Values>> N :: 121.86(3.9) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.15 Q 0.14 K 0.06 E 0.01 HN Overlap>> 1.L89 1.L89 C Shift Assignments>> C :: 178.776 CA :: 60.226 CB :: 31.224 CG :: 32.908 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.3 HA :: 4.28 HB2 :: 2.277 HB3 :: 2.304 HG2 :: 2.693 HG3 :: 2.773 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.635 Ave N Shift Values>> N :: 120.09(3.57) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.27 K 0.24 E 0.07 M 0.06 R 0.01 C Shift Assignments>> C :: 178.734 CA :: 58.205 CB :: 29.715 CG :: 33.772 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 :: 8.375 HA :: 4.043 HB2 :: 2.317 HG2 :: 2.609 HG3 :: 2.84 HE21 :: 7.24 HE22 :: 7.583 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 :: 118.781 NE2 :: 111.384 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 R 0.27 K 0.08 L 0.04 C Shift Assignments>> C :: 177.437 CA :: 58.805 CB :: 41.78 CG :: 27.052 CD1 :: 24.283 CD2 :: 28.929 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 :: 6.83 HA :: 1.98(S) HB2 :: 1.046 HB3 :: 1.629 HG :: 1.347 HD11 :: 0.536 HD12 :: 0.536 HD13 :: 0.536 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 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 :: 121.953 Ave N Shift Values>> N :: 121.86(3.9) 1.V79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.V52 1.V52 C Shift Assignments>> C :: 179.036 CA :: 66.877 CB :: 31.504 CG1 :: 22.272 CG2 :: 20.718 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 :: 8.101 HA :: 2.902 HB :: 1.543 HG11 :: -0.403(S) HG12 :: -0.403(S) HG13 :: -0.403(S) HG21 :: 0.084 HG22 :: 0.084 HG23 :: 0.084 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 :: 120.435 Ave N Shift Values>> N :: 121.14(4.54) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.22 K 0.06 Q 0.02 C Shift Assignments>> C :: 179.073 CA :: 59.949 CB :: 29.255 CG :: 36.252 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 :: 8.273 HA :: 3.849 HB2 :: 2.017 HB3 :: 2.096 HG2 :: 2.234 HG3 :: 2.389 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 :: 121.197 Ave N Shift Values>> N :: 120.67(3.48) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 C 0.37 H 0.23 HN Overlap>> 1.R20 1.R20 C Shift Assignments>> C :: 176.892 CA :: 59.899 CB :: 28.981 CE1 :: 137.211 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.708 HA :: 4.132 HB2 :: 3.099 HB3 :: 3.14 HE1 :: 8.524 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.183 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Y 0.29 F 0.15 C Shift Assignments>> C :: 175.876 CA :: 59.977 CB :: 37.819 CD1 :: 134.611 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 :: 7.448 HA :: 4.945 HB2 :: 2.122 HB3 :: 3.059 HD1 :: 7.225 HE1 :: 6.774 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 :: 115.595 Ave N Shift Values>> N :: 120.52(4.2) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.562 CA :: 64.618 CB :: 69.282 CG2 :: 20.488 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 :: 7.619 HA :: 4.661 HB :: 4.194 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 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 :: 116.251 Ave N Shift Values>> N :: 115.42(4.75) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.148 CA :: 64.74 CB :: 69.126 CG2 :: 21.678 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 :: 7.137 HA :: 3.992 HB :: 4.122 HG21 :: 1.148 HG22 :: 1.148 HG23 :: 1.148 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 :: 115.949 Ave N Shift Values>> N :: 115.42(4.75) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.25 R 0.08 D 0.05 C 0.04 F 0.01 C Shift Assignments>> C :: 172.421 CA :: 53.216 CB :: 44.564 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 :: 7.392 HA :: 4.428 HB2 :: 2.176 HB3 :: 2.259 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 :: 120.205 Ave N Shift Values>> N :: 120.65(3.86) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.36 I 0.04 C 0.03 C Shift Assignments>> C :: 178.533 CA :: 55.451 CB :: 18.305 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.343 HA :: 3.742 HB1 :: 1.21 HB2 :: 1.21 HB3 :: 1.21 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.511 Ave N Shift Values>> N :: 123.23(3.54) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.22 L 0.15 F 0.1 Y 0.09 C 0.07 K 0.02 C Shift Assignments>> C :: 174.523 CA :: 54.137 CB :: 40.248 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 :: 8.081 HA :: 4.164 HB2 :: 1.973 HB3 :: 3.163 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 :: 110.978 Ave N Shift Values>> N :: 120.65(3.86) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.18 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.158 CA :: 44.808 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.336 HA2 :: 3.614 HA3 :: 4.344 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.658 Ave N Shift Values>> N :: 109.67(3.87) 1.L89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.71 C 0.24 G 0.02 R 0.01 HN Overlap>> 1.M76 1.M76 C Shift Assignments>> C :: 177.515 CA :: 54.428 CB :: 42.303 CG :: 25.355 CD1 :: 19.058(S) CD2 :: 25.82 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 :: 8.279 HA :: 4.05 HB2 :: 1.943 HB3 :: 0.915 HG :: 1.635 HD11 :: -0.605(S) HD12 :: -0.605(S) HD13 :: -0.605(S) HD21 :: -0.111 HD22 :: -0.111 HD23 :: -0.111 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 :: 119.615 Ave N Shift Values>> N :: 121.86(3.9) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.2 Y 0.18 L 0.12 C 0.09 D 0.06 I 0.04 R 0.03 C Shift Assignments>> C :: 172.956 CA :: 58.139 CB :: 41.395 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.695 HA :: 4.308 HB2 :: 3.243 HB3 :: 3.357 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.661 Ave N Shift Values>> N :: 120.17(4.64) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.21 S 0.02 C Shift Assignments>> C :: 170.41 CA :: 59.768 CB :: 68.112 CG2 :: 20.589 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 :: 7.213 HA :: 4.36 HB :: 4.25 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 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 :: 113.726 Ave N Shift Values>> N :: 115.42(4.75) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.06 K 0.05 C Shift Assignments>> C :: 176.126 CA :: 56.199 CB :: 30.503 CG :: 27.223 CD :: 43.364 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 :: 7.516 HA :: 4.325 HB2 :: 1.5 HB3 :: 1.678 HG2 :: 1.267 HG3 :: 1.421 HD2 :: 2.963 HD3 :: 3.152 HE :: 7.095 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 :: 121.049 NE :: 84.318 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.L93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.47 C 0.46 L 0.06 C Shift Assignments>> C :: 175.822 CA :: 54.906 CB :: 38.036 CG :: 25.213 CD1 :: 25.21 CD2 :: 20.881 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 :: 8.132 HA :: 3.757 HB2 :: 1.131 HB3 :: 0.104(S) HG :: 1.068 HD11 :: -0.199(S) HD12 :: -0.199(S) HD13 :: -0.199(S) HD21 :: 0.124 HD22 :: 0.124 HD23 :: 0.124 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 :: 122.103 Ave N Shift Values>> N :: 121.86(3.9) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.327 CA :: 62.789 CB :: 40.396 CG1 :: 27.752 CG2 :: 17.459 CD1 :: 12.176 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 :: 8.382 HA :: 4.202 HB :: 1.652 HG12 :: 1.558 HG13 :: 1.704 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 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 :: 121.408 Ave N Shift Values>> N :: 121.46(4.28) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.4 A 0.04 R 0.02 G 0.01 C Shift Assignments>> CA :: 52.597 CB :: 35.961 CG :: 24.139 CD :: 29.557 CE :: 41.642 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 :: 7.846 HA :: 5.015 HB2 :: 1.604 HB3 :: 1.678 HG2 :: 1.217 HG3 :: 1.368 HD2 :: 1.597 HE2 :: 2.879 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 :: 121.527 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> C :: 176.262 CA :: 61.368 CB :: 32.772 CG :: 26.434 CD :: 50.661 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 :: 3.425 HB2 :: 1.573 HB3 :: 1.87 HG2 :: 2.179 HG3 :: 2.154 HD2 :: 3.806 HD3 :: 3.882 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.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 K 0.34 C 0.25 G 0.01 C Shift Assignments>> C :: 175.182 CA :: 53.654 CB :: 30.897 CG :: 24.704 CD :: 28.147 CE :: 42.403 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 :: 8.881 HA :: 4.578 HB2 :: 1.143 HB3 :: 1.904 HG2 :: 1.06 HG3 :: 1.336 HD2 :: 1.852 HD3 :: 1.663 HE2 :: 3.192 HE3 :: 3.063 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 :: 125.349 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 175.754 CA :: 61.462 CB :: 32.856 CG1 :: 19.205 CG2 :: 21.826 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 :: 8.046 HA :: 4.33 HB :: 2.164 HG11 :: 0.881 HG12 :: 0.881 HG13 :: 0.881 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 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 :: 124.806 Ave N Shift Values>> N :: 121.14(4.54) 1.M99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.36 Q 0.15 E 0.02 K 0.01 C Shift Assignments>> CA :: 58.154 CB :: 33.245 CG :: 32.027 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.874 HA :: 3.883 HB2 :: 1.424 HB3 :: 1.753 HG2 :: 2.06 HG3 :: 2.13 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 127.655 Ave N Shift Values>> N :: 120.09(3.57) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.061 CA :: 63.164 CB :: 32.352 CG :: 27.107 CD :: 49.735 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 :: 4.481 HB2 :: 1.953 HB3 :: 2.32 HG2 :: 2.012 HD2 :: 3.573 HD3 :: 3.619 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) 2.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.03 G 0.01 A 0.01 HN Overlap>> 1.L3 1.L3 C Shift Assignments>> C :: 178.048 CA :: 55.509 CB :: 42.324 CG :: 27.051 CD1 :: 23.599 CD2 :: 24.808 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 :: 8.579 HA :: 4.352 HB2 :: 1.607 HB3 :: 1.684 HG :: 1.632 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.942 HD22 :: 0.942 HD23 :: 0.942 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 :: 122.584 Ave N Shift Values>> N :: 121.86(3.9) 2.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.29 CA :: 45.381 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.461 HA2 :: 3.979 HA3 :: 3.997 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.899 Ave N Shift Values>> N :: 109.67(3.87) 2.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.618 CA :: 58.393 CB :: 63.985 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.225 HA :: 4.431 HB2 :: 3.862 HB3 :: 3.89 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 :: 115.741 Ave N Shift Values>> N :: 116.28(3.52) 2.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.37 R 0.16 C Shift Assignments>> C :: 176.264 CA :: 56.273 CB :: 32.913 CG :: 25.393 CD :: 29.143 CE :: 42.177 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 :: 8.341 HA :: 4.295 HB2 :: 1.709 HB3 :: 1.777 HG2 :: 1.308 HG3 :: 1.429 HD2 :: 1.656 HD3 :: 1.727 HE2 :: 2.97 HE3 :: 3.01 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 :: 123.207 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.06 K 0.05 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> C :: 175.938 CA :: 56.297 CB :: 30.939 CG :: 26.925 CD :: 43.341 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 :: 8.255 HA :: 4.222 HB2 :: 1.613 HB3 :: 1.632 HG2 :: 1.394 HG3 :: 1.446 HD2 :: 3.075 HD3 :: 3.1 HE :: 7.201 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 :: 122.109 NE :: 84.656 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 F 0.29 C 0.23 C Shift Assignments>> C :: 175.565 CA :: 57.592 CB :: 39.879 CD1 :: 131.755 CE1 :: 131.515 CZ :: 131.861 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 :: 8.361 HA :: 4.705 HB2 :: 3 HB3 :: 3.19 HD1 :: 7.231 HE1 :: 7.284 HZ :: 7.353 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 :: 120.995 Ave N Shift Values>> N :: 120.45(4.18) 2.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.108 CA :: 58.184 CB :: 64.362 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.19 HA :: 4.487 HB2 :: 3.821 HB3 :: 3.856 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 :: 116.899 Ave N Shift Values>> N :: 116.28(3.52) 2.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.241 CA :: 58.52 CB :: 63.86 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.507 HA :: 4.515 HB2 :: 3.87 HB3 :: 3.881 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 :: 117.791 Ave N Shift Values>> N :: 116.28(3.52) 2.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.25 G 0.07 R 0.05 A 0.01 C Shift Assignments>> C :: 176.977 CA :: 54.967 CB :: 43.287 CG :: 26.984 CD1 :: 23.925 CD2 :: 24.994 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 :: 8.068 HA :: 4.412 HB2 :: 1.554 HG :: 1.666 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 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 :: 124.235 Ave N Shift Values>> N :: 121.86(3.9) 2.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.259 CA :: 58.506 CB :: 63.762 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.274 HA :: 4.37 HB2 :: 3.831 HB3 :: 3.859 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 :: 117.541 Ave N Shift Values>> N :: 116.28(3.52) 2.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> C :: 175.262 CA :: 58.629 CB :: 40.037 CD1 :: 132.874 CE1 :: 118.031 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 :: 8.239 HA :: 4.488 HB2 :: 2.569 HB3 :: 2.861 HD1 :: 6.659 HE1 :: 6.737 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 :: 122.271 Ave N Shift Values>> N :: 120.52(4.2) 2.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.34 R 0.13 G 0.01 C Shift Assignments>> C :: 173.183 CA :: 54.765 CB :: 36.546 CG :: 24.737 CD :: 29.418 CE :: 42.064 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 :: 6.952 HA :: 4.064 HB2 :: 1.381 HB3 :: 1.535 HG2 :: 1.34 HG3 :: 1.404 HD2 :: 1.58 HD3 :: 1.648 HE2 :: 2.864 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 :: 126.832 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.736 CA :: 55.719 CB :: 64.714 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.399 HA :: 4.751 HB2 :: 3.753 HB3 :: 4.063 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 :: 116.118 Ave N Shift Values>> N :: 116.28(3.52) 2.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.41 G 0.13 K 0.01 C Shift Assignments>> C :: 177.351 CA :: 57.713 CB :: 30.164 CG :: 27.464 CD :: 43.929 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 :: 9.224 HA :: 4.118 HB2 :: 1.538 HB3 :: 1.79 HG2 :: 1.677 HG3 :: 1.472 HD2 :: 3.054 HD3 :: 3.222 HE :: 7.433 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 :: 126.684 NE :: 83.409 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.11 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 177.754 CA :: 58.027 CB :: 29.425 CG :: 36.6 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 :: 7.958 HA :: 3.989 HB2 :: 1.799 HB3 :: 1.993 HG2 :: 2.2 HG3 :: 2.216 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 :: 116.866 Ave N Shift Values>> N :: 120.67(3.48) 2.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.38 M 0.12 Q 0.03 K 0.02 I 0.02 C Shift Assignments>> C :: 176.673 CA :: 57.047 CB :: 30.748 CG :: 36.529 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 :: 7.298 HA :: 4.224 HB2 :: 2.059 HB3 :: 2.09 HG2 :: 2.244 HG3 :: 2.268 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 :: 117.327 Ave N Shift Values>> N :: 120.67(3.48) 2.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.26 L 0.16 C 0.07 K 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 50.665 CB :: 41.29 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 :: 7.674 HA :: 5.005 HB2 :: 2.301 HB3 :: 2.706 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 :: 115.87 Ave N Shift Values>> N :: 120.65(3.86) 2.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.892 CA :: 63.536 CB :: 32.317 CG :: 26.737 CD :: 50.629 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 :: 4.684 HB2 :: 2.044 HB3 :: 2.387 HG2 :: 1.933 HG3 :: 2.02 HD2 :: 3.484 HD3 :: 3.853 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) 2.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.342 CA :: 62.097 CB :: 69.258 CG2 :: 21.552 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 :: 8.183 HA :: 4.337 HB :: 4.355 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 109.842 Ave N Shift Values>> N :: 115.42(4.75) 2.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.28 G 0.12 R 0.11 C Shift Assignments>> C :: 177.563 CA :: 55.718 CB :: 43.602 CG :: 26.515 CD1 :: 23.794 CD2 :: 26.284 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 :: 6.979 HA :: 4.196 HB2 :: 1.252 HB3 :: 1.596 HG :: 1.752 HD11 :: 0.647 HD12 :: 0.647 HD13 :: 0.647 HD21 :: 0.59 HD22 :: 0.59 HD23 :: 0.59 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 :: 123.247 Ave N Shift Values>> N :: 121.86(3.9) 2.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 175.569 CA :: 60.095 CB :: 71.799 CG2 :: 21.874 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 :: 8.8 HA :: 4.533 HB :: 4.774 HG21 :: 1.383 HG22 :: 1.383 HG23 :: 1.383 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 :: 114.497 Ave N Shift Values>> N :: 115.42(4.75) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 I 0.19 K 0.08 Q 0.04 C Shift Assignments>> C :: 179.709 CA :: 59.32 CB :: 28.779 CG :: 36.143 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 :: 8.986 HA :: 4.035 HB2 :: 2.075 HB3 :: 2.136 HG2 :: 2.47 HG3 :: 2.506 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 :: 119.968 Ave N Shift Values>> N :: 120.67(3.48) 2.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.29 E 0.26 K 0.03 C Shift Assignments>> C :: 179.336 CA :: 60.004 CB :: 29.199 CG :: 36.833 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 :: 8.83 HA :: 4.119 HB2 :: 1.966 HB3 :: 2.1 HG2 :: 2.347 HG3 :: 2.414 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 :: 119.764 Ave N Shift Values>> N :: 120.67(3.48) 2.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.27 I 0.22 M 0.01 K 0.01 C Shift Assignments>> C :: 178.495 CA :: 59.266 CB :: 29.975 CG :: 37.555 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 :: 7.667 HA :: 3.928 HB2 :: 1.771 HB3 :: 2.286 HG2 :: 2.133 HG3 :: 2.266 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 :: 120.687 Ave N Shift Values>> N :: 120.67(3.48) 2.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 179.282 CA :: 64.902 CB :: 38.112 CG1 :: 29.939 CG2 :: 18.469 CD1 :: 13.052 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 :: 8.127 HA :: 4.004 HB :: 1.745 HG12 :: 0.859 HG13 :: 1.683 HG21 :: 0.735 HG22 :: 0.735 HG23 :: 0.735 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 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 :: 118.774 Ave N Shift Values>> N :: 121.46(4.28) 2.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.12 CA :: 62.092 CB :: 62.849 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.435 HA :: 4.446 HB2 :: 4.073 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 :: 114.883 Ave N Shift Values>> N :: 116.28(3.52) 2.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 C Shift Assignments>> C :: 178.156 CA :: 53.386 CB :: 18.593 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.264 HA :: 4.507 HB1 :: 1.607 HB2 :: 1.607 HB3 :: 1.607 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.842 Ave N Shift Values>> N :: 123.23(3.54) 2.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.41 A 0.12 C Shift Assignments>> C :: 175.048 CA :: 56.342 CB :: 32.077 CG :: 32.136 CE :: 18.237 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.285 HA :: 4.55 HB2 :: 2.193 HB3 :: 2.544 HG2 :: 2.562 HG3 :: 3.141 HE1 :: 1.957 HE2 :: 1.957 HE3 :: 1.957 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.213 Ave N Shift Values>> N :: 120.09(3.57) 2.PTR31 Overall Status: Residue type PTR not supported. 2.S32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.966 CA :: 59.217 CB :: 62.621 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.073 HA :: 4.462 HB2 :: 2.393(S) HB3 :: 3.419 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 :: 119.116 Ave N Shift Values>> N :: 116.28(3.52) 2.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.558 CA :: 57.23 CB :: 65.305 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.693 HA :: 5.015 HB2 :: 3.833 HB3 :: 3.937 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 :: 117.256 Ave N Shift Values>> N :: 116.28(3.52) 2.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.V46 1.V46 C Shift Assignments>> C :: 175.401 CA :: 62.606 CB :: 32.905 CG1 :: 20.687 CG2 :: 22.133 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 :: 8.812 HA :: 4.014 HB :: 1.999 HG11 :: 0.984 HG12 :: 0.984 HG13 :: 0.984 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 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 :: 121.687 Ave N Shift Values>> N :: 121.14(4.54) 2.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.24 C 0.07 L 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 173.852 CA :: 52.392 CB :: 39.493 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 :: 8.952 HA :: 4.944 HB2 :: 2.648 HB3 :: 2.757 HD21 :: 6.85 HD22 :: 7.527 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 :: 124.491 ND2 :: 112.981 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.29 R 0.15 G 0.01 C Shift Assignments>> CA :: 54.273 CB :: 32.681 CG :: 25.39 CD :: 29.185 CE :: 42.158 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 :: 8.552 HA :: 4.56 HB2 :: 1.667 HB3 :: 1.833 HG2 :: 1.303 HG3 :: 1.433 HD2 :: 1.654 HE2 :: 2.86 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 :: 124.424 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.472 CA :: 63.503 CB :: 32.155 CG :: 27.251 CD :: 50.406 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 :: 4.422 HB2 :: 1.989 HB3 :: 2.283 HG2 :: 2.007 HG3 :: 2.052 HD2 :: 3.675 HD3 :: 3.738 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) 2.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.138 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.017 HA2 :: 3.72 HA3 :: 3.795 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.387 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 124 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 132 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 135 #Suspicious: 1 C Shift Results: #Consistent: 574 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 864 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 136 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M6 HB2 = 0.212(S), Expected = 2.03, Std = 0.3400, ChiSquare = 8.9395e-08 1.W8 H = 5.58(S), Expected = 8.29, Std = 0.7900, ChiSquare = 6.0274e-04 1.G11 H = 5.202(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4920e-06 1.F30 SRO Rule Break>> HE2 > HA : 0.996867167919799 1.N37 H = 10.571(S), Expected = 8.34, Std = 0.6300, ChiSquare = 3.9821e-04 1.T43 Typing: Mistyped 1.T43 CG2 = 26.406(S), Expected = 21.55, Std = 1.1100, ChiSquare = 1.2156e-05 1.S65 HB2 = 3.022(S), Expected = 3.88, Std = 0.2500, ChiSquare = 5.9915e-04 1.L78 HA = 1.98(S), Expected = 4.32, Std = 0.4700, ChiSquare = 6.4005e-07 1.V79 HG11 = -0.403(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.1130e-06 1.V79 HG12 = -0.403(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.1130e-06 1.V79 HG13 = -0.403(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.1130e-06 1.L89 CD1 = 19.058(S), Expected = 24.72, Std = 1.5900, ChiSquare = 3.6944e-04 1.L89 HD11 = -0.605(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3031e-06 1.L89 HD12 = -0.605(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3031e-06 1.L89 HD13 = -0.605(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3031e-06 1.L93 HB3 = 0.104(S), Expected = 1.52, Std = 0.3600, ChiSquare = 8.3776e-05 1.L93 HD11 = -0.199(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0075e-04 1.L93 HD12 = -0.199(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0075e-04 1.L93 HD13 = -0.199(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0075e-04 2.S32 HB2 = 2.393(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.7144e-09