Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.24 M 0.08 E 0.07 R 0.02 C Shift Assignments>> C :: 176.958 CA :: 55.98 CB :: 29.574 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>> HB2 :: 2.232 HB3 :: 2.232 HG2 :: 2.616 HG3 :: 2.528 HE21 :: 6.823 HE22 :: 6.515 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>> NE2 :: 111.534 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.11 C 0.11 Y 0.06 F 0.06 L 0.02 M 0.01 E 0.01 HN Overlap>> 1.E66 1.Y14 1.E66 1.Y14 C Shift Assignments>> C :: 175.666 CA :: 52.967 CB :: 38.239 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 :: 8.333 HA :: 4.551 HB2 :: 2.412 HB3 :: 2.637 HD21 :: 6.276 HD22 :: 7.336 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 :: 121.112 ND2 :: 107.999 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.14 K 0.1 Q 0.07 M 0.01 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> C :: 179.039 CA :: 59.874 CB :: 29.303 CG :: 35.599 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 :: 8.755 HA :: 4.025 HB2 :: 2.059 HB3 :: 2.059 HG2 :: 2.316 HG3 :: 2.316 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.377 Ave N Shift Values>> N :: 120.67(3.48) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.42 G 0.09 K 0.02 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 179.759 CA :: 59.373 CB :: 30.108 CG :: 27.337 CD :: 43.536 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 :: 8.263 HA :: 4.126 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 1.768 HG3 :: 1.768 HD2 :: 3.288 HD3 :: 3.288 HE :: 7.491 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 :: 119.034 NE :: 85.257 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.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 C 0.21 F 0.21 I 0.16 E 0.07 M 0.01 D 0.01 L 0.01 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 177.287 CA :: 58.48 CB :: 38.058 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 :: 7.898 HA :: 4.289 HB2 :: 2.998 HB3 :: 2.793 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 :: 123.19 Ave N Shift Values>> N :: 120.52(4.2) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.25 I 0.23 K 0.07 Q 0.04 C Shift Assignments>> C :: 180.164 CA :: 59.45 CB :: 28.175 CG :: 36.038 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 :: 8.08 HA :: 3.717 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 2.332 HG3 :: 2.332 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 :: 118.143 Ave N Shift Values>> N :: 120.67(3.48) 1.K8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.42 R 0.05 C Shift Assignments>> C :: 177.904 CA :: 59.89 CB :: 32.111 CG :: 25.569 CD :: 29.852 CE :: 44.886(S) 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 :: 8.025 HA :: 4.234 HB2 :: 1.983 HB3 :: 1.983 HG2 :: 1.447 HG3 :: 1.447 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 3.029 HE3 :: 3.029 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 :: 120.518 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.18 Y 0.18 F 0.15 E 0.01 C Shift Assignments>> C :: 174.436 CA :: 61.358 CB :: 38.332 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 :: 7.862 HA :: 4.322 HB2 :: 3.085 HB3 :: 3.808 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 :: 121.854 Ave N Shift Values>> N :: 120.45(4.18) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.16 L 0.14 C Shift Assignments>> C :: 180.637 CA :: 56.58 CB :: 41.474 CG :: 26.028 CD1 :: 21.066 CD2 :: 21.066 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 :: 8.423 HA :: 4.614 HB2 :: 1.955 HB3 :: 1.955 HG :: 1.42 HD11 :: 1.017 HD12 :: 1.017 HD13 :: 1.017 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 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 :: 118.747 Ave N Shift Values>> N :: 121.86(3.9) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.37 G 0.11 K 0.03 C Shift Assignments>> C :: 178.708 CA :: 59.337 CB :: 30.189 CG :: 28 CD :: 43.694 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 :: 8.115 HA :: 4.078 HB2 :: 2.217 HB3 :: 2.217 HG2 :: 1.965 HG3 :: 1.965 HD2 :: 3.255 HD3 :: 3.255 HE :: 7.582 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 :: 120.221 NE :: 84.338 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.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.29 K 0.16 Q 0.15 I 0.05 M 0.02 C Shift Assignments>> C :: 175.66 CA :: 57.89 CB :: 29.238 CG :: 35.437 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 :: 7.914 HA :: 3.84 HB2 :: 1.46 HB3 :: 1.3 HG2 :: 1.833 HG3 :: 2.022 HE21 :: 6.965 HE22 :: 7.389 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 :: 112.354 NE2 :: 112.116 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> Q 0.16 H 0.16 K 0.13 R 0.12 W 0.11 C 0.11 E 0.1 M 0.05 L 0.01 C Shift Assignments>> C :: 174.566 CA :: 54.733 CB :: 29.413 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 :: 7.976 HA :: 4.872 HB2 :: 1.796(S) HB3 :: 2.647 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 :: 106.12(S) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.19 F 0.14 R 0.11 Y 0.1 D 0.09 C 0.06 I 0.01 HN Overlap>> 1.N3 1.E66 1.N3 1.E66 C Shift Assignments>> C :: 174.585 CA :: 57.233 CB :: 42.06 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 :: 8.399 HA :: 5.465 HB2 :: 2.752 HB3 :: 3.439 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 :: 121.112 Ave N Shift Values>> N :: 120.52(4.2) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.06 N 0.06 R 0.06 C 0.04 Y 0.04 C Shift Assignments>> C :: 174.74 CA :: 53.964 CB :: 41.875 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 :: 7.955 HA :: 4.373 HB2 :: 2.626 HB3 :: 2.32 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 :: 126.456 Ave N Shift Values>> N :: 120.65(3.86) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.23 C 0.1 L 0.06 V 0.04 I 0.02 T 0.01 C Shift Assignments>> C :: 178.471 CA :: 55.625 CB :: 19.938 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.988 HA :: 4.101 HB1 :: 1.55 HB2 :: 1.55 HB3 :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.237 Ave N Shift Values>> N :: 123.23(3.54) 1.K17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> A 0.36 R 0.29 C 0.28 G 0.04 HN Overlap>> 1.C26 1.C26 C Shift Assignments>> C :: 172.5 CA :: 52.773 CB :: 32.77 CG :: 21.758 CD :: 26.255 CE :: 42.626 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 :: 8.037 HA :: 4.627 HB2 :: 1.69 HB3 :: 1.69 HG2 :: 1.244 HG3 :: 1.244 HD2 :: 1.513 HD3 :: 1.513 HE2 :: 3.151 HE3 :: 3.151 HZ1 :: 7.142(U) HZ2 :: 7.142(U) HZ3 :: 7.142(U) 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 :: 116.362 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 177.533 CA :: 62.745 CB :: 32.749 CG :: 25.795 CD :: 50.004 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 :: 4.19 HB2 :: 1.783 HB3 :: 1.783 HG2 :: 1.472 HG3 :: 1.557 HD2 :: 3.196 HD3 :: 3.364 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.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.36 R 0.11 C Shift Assignments>> C :: 176.8 CA :: 55.509 CB :: 32.32 CG :: 24.837 CD :: 29.231 CE :: 41.974 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 :: 7.901 HA :: 4.226 HB2 :: 1.748 HB3 :: 1.748 HG2 :: 1.382 HG3 :: 1.472 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 2.94 HE3 :: 3.143 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 :: 121.409 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G20 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 :: 172.94 CA :: 45.614 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.945 HA2 :: 3.794 HA3 :: 3.794 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.018 Ave N Shift Values>> N :: 109.67(3.87) 1.R21 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.33 L 0.22 R 0.04 C Shift Assignments>> C :: 172.561 CA :: 55.562 CB :: 28.733 CG :: 25.817 CD :: 41.06 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 :: 7.321 HA :: 3.36 HB2 :: 1.822 HB3 :: 2.071 HG2 :: 1.337 HG3 :: 1.337 HD2 :: 3.404 HD3 :: 3.505 HE :: 7.004 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 :: 113.393 NE :: 83.874 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.25 N 0.11 K 0.07 R 0.06 C 0.05 F 0.03 G 0.02 Y 0.02 C Shift Assignments>> C :: 176.589 CA :: 51.512 CB :: 42.166 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 :: 7.602 HA :: 4.694 HB2 :: 2.719 HB3 :: 3.207 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 :: 116.51 Ave N Shift Values>> N :: 120.65(3.86) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 I 0.17 C 0.16 L 0.02 D 0.02 C Shift Assignments>> C :: 178.173 CA :: 58.742 CB :: 39.181 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 :: 8.119 HA :: 4.059 HB2 :: 2.716 HB3 :: 3.235 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 :: 121.409 Ave N Shift Values>> N :: 120.65(3.86) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.39 K 0.09 G 0.05 L 0.02 HN Overlap>> 1.F68 1.F68 C Shift Assignments>> CA :: 58.899 CB :: 29.22 CG :: 26.767 CD :: 43.165 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 :: 7.624 HA :: 4.011 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.568 HG3 :: 1.568 HD2 :: 3.196 HD3 :: 3.196 HE :: 7.449 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 :: 117.846 NE :: 84.988 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.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.34 C 0.3 Y 0.11 E 0.08 F 0.07 V 0.05 M 0.01 C Shift Assignments>> C :: 177.075 CA :: 61.289 CB :: 36.586 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>> HA :: 3.929 HB2 :: 3.143 HB3 :: 3.25 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) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 Y 0.25 F 0.22 C 0.17 HN Overlap>> 1.K17 1.K17 C Shift Assignments>> C :: 176.382 CA :: 60.371 CB :: 39.032 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.03 HA :: 3.983 HB2 :: 3.109 HB3 :: 3.273 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 :: 116.362 Ave N Shift Values>> N :: 120.17(4.64) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.3 E 0.26 K 0.03 Q 0.01 HN Overlap>> 1.K51 1.K51 C Shift Assignments>> C :: 179.418 CA :: 60.049 CB :: 29.11 CG :: 36.735 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 :: 8.435 HA :: 4.623 HB2 :: 2.214 HB3 :: 2.214 HG2 :: 2.723 HG3 :: 2.881 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 :: 119.034 Ave N Shift Values>> N :: 120.67(3.48) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R33 1.R33 C Shift Assignments>> C :: 177.222 CA :: 61.229 CB :: 62.681 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.035 HA :: 4.155 HB2 :: 3.866 HB3 :: 3.866 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 :: 113.393 Ave N Shift Values>> N :: 116.28(3.52) 1.M29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.43 C 0.4 A 0.16 C Shift Assignments>> C :: 179.011 CA :: 55.562 CB :: 30.129 CG :: 31.438 CE :: 17.167 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 :: 8.574 HA :: 4.15 HB2 :: 0.863(S) HB3 :: 1.133 HG2 :: 1.991 HG3 :: 1.991 HE1 :: 1.525 HE2 :: 1.525 HE3 :: 1.525 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 :: 121.706 Ave N Shift Values>> N :: 120.09(3.57) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.26 A 0.12 C Shift Assignments>> C :: 178.62 CA :: 56.569 CB :: 29.003 CG :: 30.722 CE :: 17.624 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 :: 8.293 HA :: 4.212 HB2 :: 1.392 HB3 :: 1.104 HG2 :: 2.51 HG3 :: 2.51 HE1 :: 1.505 HE2 :: 1.505 HE3 :: 1.505 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 :: 116.065 Ave N Shift Values>> N :: 120.09(3.57) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.34 R 0.16 G 0.02 C Shift Assignments>> C :: 180.689 CA :: 59.057 CB :: 32.337 CG :: 25.101 CD :: 29.739 CE :: 42.805 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 :: 6.903 HA :: 4.155 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 3.296 HE3 :: 3.296 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 :: 117.252 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.33 I 0.2 K 0.03 M 0.01 Q 0.01 HN Overlap>> 1.N43 1.N43 C Shift Assignments>> C :: 178.626 CA :: 59.54 CB :: 29.641 CG :: 36.735 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 :: 8.513 HA :: 3.977 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.347 HG3 :: 2.318 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 :: 122.893 Ave N Shift Values>> N :: 120.67(3.48) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.23 K 0.1 R 0.08 HN Overlap>> 1.S28 1.S28 C Shift Assignments>> C :: 174.19 CA :: 52.89 CB :: 27.428 CG :: 26.757 CD :: 41.781 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 :: 8.084 HA :: 4.269 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 1.737 HG3 :: 1.546 HD2 :: 3.033 HD3 :: 3.033 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 :: 113.393 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.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.23 L 0.1 K 0.08 C Shift Assignments>> C :: 177.217 CA :: 56.623 CB :: 27.539 CG :: 25.052 CD :: 29.075 CE :: 41.399 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 :: 7.679 HA :: 4.115 HB2 :: 2.143 HB3 :: 2.143 HG2 :: 1.426 HG3 :: 1.37 HD2 :: 1.891 HD3 :: 1.891 HE2 :: 2.516 HE3 :: 2.516 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 :: 113.393 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.18 A 0.03 HN Overlap>> 1.R5 1.R5 C Shift Assignments>> C :: 175.633 CA :: 53.47 CB :: 41.256 CG :: 26.396 CD1 :: 23.685 CD2 :: 23.685 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 :: 8.308 HA :: 4.773 HB2 :: 1.658 HB3 :: 1.658 HG :: 1.409 HD11 :: 0.957 HD12 :: 0.957 HD13 :: 0.957 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 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 :: 119.034 Ave N Shift Values>> N :: 121.86(3.9) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 173.129 CA :: 60.62 CB :: 69.472 CG2 :: 22.39 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 :: 7.18 HA :: 4.578 HB :: 4.162 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 102.409 Ave N Shift Values>> N :: 115.42(4.75) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 P 0.01 C Shift Assignments>> C :: 177.14 CA :: 54 CB :: 63.607 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.474 HA :: 4.896 HB2 :: 3.669 HB3 :: 3.898 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 :: 114.581 Ave N Shift Values>> N :: 116.28(3.52) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 P 0.1 A 0.01 C Shift Assignments>> C :: 175.534 CA :: 63.199 CB :: 33.539 CG :: 24.117 CD :: 50.017 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 :: 4.357 HB2 :: 2.114 HB3 :: 2.305 HG2 :: 1.799 HG3 :: 1.9 HD2 :: 3.642 HD3 :: 3.682 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.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 N 0.18 Y 0.16 E 0.16 F 0.12 M 0.05 D 0.03 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 174.978 CA :: 55.517 CB :: 37.404 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.881 HA :: 4.063 HB2 :: 3.031 HB3 :: 3.031 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 :: 114.284 Ave N Shift Values>> N :: 120.17(4.64) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.36 K 0.18 G 0.01 C Shift Assignments>> C :: 178.672 CA :: 56.669 CB :: 32.846 CG :: 25.976 CD :: 31.175 CE :: 42.344 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 :: 7.873 HA :: 4.125 HB2 :: 1.797 HB3 :: 1.797 HG2 :: 1.34 HG3 :: 1.34 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 2.987 HE3 :: 2.987 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 :: 128.831 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 C 0.13 I 0.1 L 0.07 D 0.06 K 0.03 C Shift Assignments>> C :: 175.975 CA :: 58.234 CB :: 40.232 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 :: 8.656 HA :: 4.459 HB2 :: 2.837 HB3 :: 2.894 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 :: 126.752 Ave N Shift Values>> N :: 120.65(3.86) 1.V42 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 :: 174.314 CA :: 60.51 CB :: 34.497 CG1 :: 20.327 CG2 :: 22.052 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.689 HA :: 5.011 HB :: 1.984 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 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 :: 116.659 Ave N Shift Values>> N :: 121.14(4.54) 1.N43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.28 R 0.09 D 0.04 C 0.04 F 0.01 Y 0.01 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 174.533 CA :: 54.081 CB :: 44.674(S) 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 :: 8.555 HA :: 4.865 HB2 :: 2.32 HB3 :: 2.32 HD21 :: 6.829 HD22 :: 7.389 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 :: 122.893 ND2 :: 111.566 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.62 C 0.35 S 0.01 C Shift Assignments>> C :: 173.586 CA :: 62.831 CB :: 67.522 CG2 :: 23.331 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 :: 10.358(S) HA :: 4.727 HB :: 4.245 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 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 :: 128.985 Ave N Shift Values>> N :: 115.42(4.75) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 L 0.16 Y 0.14 D 0.08 C 0.07 R 0.06 I 0.02 HN Overlap>> 1.T79 1.T79 C Shift Assignments>> C :: 172.655 CA :: 57.57 CB :: 41.701 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 :: 9.16 HA :: 4.274 HB2 :: 2.94 HB3 :: 2.94 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 :: 125.862 Ave N Shift Values>> N :: 120.45(4.18) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.4 C Shift Assignments>> C :: 174.716 CA :: 60.277 CB :: 40.305 CG1 :: 27.116 CG2 :: 19.704 CD1 :: 15.561 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 :: 8.79 HA :: 4.005 HB :: 1.699 HG12 :: 1.256 HG13 :: 1.462 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 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 :: 122.002 Ave N Shift Values>> N :: 121.46(4.28) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.18 C 0.16 H 0.12 Q 0.11 L 0.09 R 0.08 K 0.08 W 0.08 E 0.03 M 0.02 C Shift Assignments>> C :: 175.396 CA :: 51.924 CB :: 28.421 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 :: 8.276 HA :: 5.581 HB2 :: 3.058 HB3 :: 3.136 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 :: 125.268 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.28 R 0.23 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.524 CA :: 44.135 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.029 HA2 :: 4.617 HA3 :: 4.304 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.346 Ave N Shift Values>> N :: 109.67(3.87) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 176.121 CA :: 60.701 CB :: 70.163 CG2 :: 22.413 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 :: 8.589 HA :: 4.807 HB :: 3.964 HG21 :: 1.166 HG22 :: 1.166 HG23 :: 1.166 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 :: 112.503 Ave N Shift Values>> N :: 115.42(4.75) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 K 0.03 C Shift Assignments>> C :: 179.902 CA :: 60.551 CB :: 31.463 CG :: 25.435 CD :: 29.774 CE :: 39.461 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 :: 8.847 HA :: 4.587 HB2 :: 1.924 HB3 :: 1.933 HG2 :: 1.392 HG3 :: 1.506 HD2 :: 1.716 HD3 :: 1.716 HE2 :: 3.032 HE3 :: 3.032 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 :: 124.081 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.41 R 0.06 G 0.01 HN Overlap>> 1.E27 1.E27 C Shift Assignments>> C :: 178.877 CA :: 60.367 CB :: 31.856 CG :: 24.99 CD :: 29.574 CE :: 42.162 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 :: 8.442 HA :: 3.893 HB2 :: 1.884 HB3 :: 1.884 HG2 :: 1.454 HG3 :: 1.454 HD2 :: 1.69 HD3 :: 1.69 HE2 :: 2.881 HE3 :: 2.881 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.034 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 N 0.2 Y 0.11 M 0.09 F 0.07 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 177.622 CA :: 55.016 CB :: 36.922 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 :: 7.558 HA :: 4.61 HB2 :: 3.101 HB3 :: 3.085 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 :: 117.549 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I53 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 :: 177.904 CA :: 64.446 CB :: 37.975 CG1 :: 29.744 CG2 :: 17.802 CD1 :: 15.501 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.726 HA :: 3.744 HB :: 1.873 HG12 :: 1.686 HG13 :: 1.495 HG21 :: 0.595 HG22 :: 0.595 HG23 :: 0.595 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.924 Ave N Shift Values>> N :: 121.46(4.28) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 G 0.17 R 0.12 K 0.03 C Shift Assignments>> C :: 178.619 CA :: 59.289 CB :: 28.859 CG :: 29.562 CD :: 43.73 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 :: 7.967 HA :: 3.526 HB2 :: 1.702 HB3 :: 1.702 HG2 :: 1.551 HG3 :: 1.551 HD2 :: 3.199 HD3 :: 3.263 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 :: 117.549 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.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.39 C 0.01 I 0.01 C Shift Assignments>> C :: 179.723 CA :: 53.832 CB :: 17.834 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.549 HA :: 4.109 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.143 Ave N Shift Values>> N :: 123.23(3.54) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.356 CA :: 64.234 CB :: 37.438 CG1 :: 28.517 CG2 :: 17.669 CD1 :: 15.483 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.603 HA :: 3.228 HB :: 1.802 HG12 :: 1.499 HG13 :: 1.675 HG21 :: 0.568 HG22 :: 0.568 HG23 :: 0.568 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 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 :: 122.299 Ave N Shift Values>> N :: 121.46(4.28) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.13 D 0.09 Y 0.08 F 0.07 E 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 174.29 CA :: 53.522 CB :: 37.974 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.417 HA :: 4.194 HB2 :: 2.78 HB3 :: 2.775 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 :: 113.987 Ave N Shift Values>> N :: 120.17(4.64) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.827 CA :: 44.635 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.323 HA2 :: 4.293 HA3 :: 3.509 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.128 Ave N Shift Values>> N :: 109.67(3.87) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.12 HN Overlap>> 1.E4 1.E4 C Shift Assignments>> C :: 177.172 CA :: 58.106 CB :: 32.396 CG :: 25.248 CD :: 29.079 CE :: 42.149 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 :: 8.659 HA :: 5.358 HB2 :: 1.955 HB3 :: 1.955 HG2 :: 1.514 HG3 :: 1.403 HD2 :: 1.725 HD3 :: 1.948 HE2 :: 3.298 HE3 :: 3.268 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 :: 124.336 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 R 0.31 C 0.3 G 0.01 C Shift Assignments>> C :: 175.144 CA :: 54.592 CB :: 30.376 CG :: 25.41 CD :: 28.624 CE :: 42.344 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 :: 7.608 HA :: 4.722 HB2 :: 2.141 HB3 :: 2.141 HG2 :: 1.271 HG3 :: 1.468 HD2 :: 1.671 HD3 :: 1.931 HE2 :: 3.253 HE3 :: 3.253 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.174 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 172.321 CA :: 44.31 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.51 HA2 :: 4.203 HA3 :: 4.93 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.534 Ave N Shift Values>> N :: 109.67(3.87) 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 :: 170.935 CA :: 56.133 CB :: 64.667 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.698 HA :: 5.081 HB2 :: 3.908 HB3 :: 3.567 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 :: 112.799 Ave N Shift Values>> N :: 116.28(3.52) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.2 C Shift Assignments>> C :: 175.452 CA :: 64.292 CB :: 31.903 CG :: 28.162 CD :: 51.171 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 :: 1.863 HB3 :: 2.01 HG2 :: 2.189 HG3 :: 1.949 HD2 :: 3.821 HD3 :: 3.775 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.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 L 0.14 K 0.12 D 0.1 C 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 174.475 CA :: 57.509 CB :: 40.867 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 :: 8.144 HA :: 4.482 HB2 :: 2.573 HB3 :: 2.435 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 :: 126.159 Ave N Shift Values>> N :: 120.52(4.2) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.113 CA :: 44.777 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.809 HA2 :: 3.487 HA3 :: 3.814 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.503 Ave N Shift Values>> N :: 109.67(3.87) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.32 K 0.12 I 0.08 Q 0.08 M 0.01 HN Overlap>> 1.N3 1.N3 1.Y14 1.Y14 C Shift Assignments>> C :: 177.253 CA :: 57.538 CB :: 28.847 CG :: 36.07 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 :: 8.424 HA :: 4.097 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 2.187 HG3 :: 2.187 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 :: 121.112 Ave N Shift Values>> N :: 120.67(3.48) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.15 C 0.1 Y 0.08 F 0.07 L 0.04 M 0.01 E 0.01 C Shift Assignments>> C :: 175.111 CA :: 53.446 CB :: 38.596 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 :: 8.111 HA :: 4.76 HB2 :: 2.514 HB3 :: 2.695 HD21 :: 6.659 HD22 :: 6.464 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 :: 114.284 ND2 :: 111.512 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.19 D 0.19 F 0.13 Y 0.1 C 0.06 R 0.03 N 0.02 I 0.01 HN Overlap>> 1.R24 1.R24 C Shift Assignments>> C :: 175.919 CA :: 55.94 CB :: 41.448 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 :: 7.73 HA :: 5.286 HB2 :: 3.24 HB3 :: 3.341 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 :: 117.846 Ave N Shift Values>> N :: 120.45(4.18) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.35 G 0.13 K 0.09 C Shift Assignments>> C :: 173.372 CA :: 53.889 CB :: 33.791 CG :: 27.227 CD :: 43.317 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 :: 9.42 HA :: 5.036 HB2 :: 1.566 HB3 :: 1.566 HG2 :: 1.308 HG3 :: 1.308 HD2 :: 3.168 HD3 :: 3.287 HE :: 7.618 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 :: 121.409 NE :: 85.027 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.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.33 A 0.08 C Shift Assignments>> C :: 174.66 CA :: 56.713 CB :: 40.769 CG1 :: 28.115 CG2 :: 16.949 CD1 :: 14.556 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 :: 9.046 HA :: 5.141 HB :: 1.703 HG12 :: 1.443 HG13 :: 1.443 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 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 :: 120.518 Ave N Shift Values>> N :: 121.46(4.28) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.163 CA :: 59.227 CB :: 65.094 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.925 HA :: 4.342 HB2 :: 4.009 HB3 :: 4.009 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.706 Ave N Shift Values>> N :: 116.28(3.52) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.14 D 0.06 Y 0.06 F 0.05 E 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 175.641 CA :: 52.866 CB :: 37.574 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 :: 8.104 HA :: 4.678 HB2 :: 2.956 HB3 :: 2.728 HD21 :: 6.734 HD22 :: 7.284 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 :: 116.956 ND2 :: 112.245 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.154 CA :: 55.622 CB :: 64.208 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.02 HA :: 5 HB2 :: 3.581 HB3 :: 3.793 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 :: 113.591 Ave N Shift Values>> N :: 116.28(3.52) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.81 P 0.18 C Shift Assignments>> C :: 177.787 CA :: 61.328 CB :: 29.11 CG :: 27.377 CD :: 50.247 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 :: 4.29 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.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.23 K 0.16 D 0.1 F 0.09 Y 0.06 C 0.05 G 0.01 HN Overlap>> 1.A105 1.A105 C Shift Assignments>> C :: 176.072 CA :: 56.285 CB :: 42.694 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 :: 8.464 HA :: 4.568 HB2 :: 2.762 HB3 :: 2.762 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 :: 119.924 Ave N Shift Values>> N :: 120.45(4.18) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 C 0.26 Q 0.24 R 0.13 M 0.04 E 0.01 C Shift Assignments>> C :: 174.998 CA :: 57.074 CB :: 28.352 CG :: 32.991 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.1 HA :: 4.938 HB2 :: 2.213 HB3 :: 2.213 HG2 :: 2.526 HG3 :: 2.663 HE21 :: 7.51 HE22 :: 6.698 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.221 NE2 :: 111.728 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.13 G 0.12 A 0.02 C Shift Assignments>> C :: 177.227 CA :: 58.715 CB :: 43.085 CG1 :: 25.452 CG2 :: 18.993 CD1 :: 14.525 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 :: 8.585 HA :: 5.248 HB :: 1.464 HG12 :: 1.009 HG13 :: 1.009 HG21 :: 0.807 HG22 :: 0.807 HG23 :: 0.807 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 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 :: 115.768 Ave N Shift Values>> N :: 121.46(4.28) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.68 CA :: 63.581 CB :: 69.954 CG2 :: 22.354 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 :: 9.203 HA :: 4.901 HB :: 4.263 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 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 :: 122.002 Ave N Shift Values>> N :: 115.42(4.75) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 HN Overlap>> 1.F45 1.F45 C Shift Assignments>> C :: 173.862 CA :: 63.269 CB :: 70.119 CG2 :: 23.047 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 :: 9.25 HA :: 4.765 HB :: 3.961 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 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 :: 125.862 Ave N Shift Values>> N :: 115.42(4.75) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.12 C 0.09 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 174.245 CA :: 52.343 CB :: 38.448 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.911 HA :: 5.7 HB2 :: 2.601 HB3 :: 3.062 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 :: 127.346 Ave N Shift Values>> N :: 120.17(4.64) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.065 CA :: 61.157 CB :: 70.333 CG2 :: 21.99 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 :: 9.402 HA :: 5.27 HB :: 4.129 HG21 :: 1.251 HG22 :: 1.251 HG23 :: 1.251 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 :: 119.034 Ave N Shift Values>> N :: 115.42(4.75) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.16 K 0.13 C 0.12 R 0.12 W 0.11 E 0.08 M 0.05 L 0.01 C Shift Assignments>> C :: 173.894 CA :: 54.007 CB :: 29.298 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 :: 9.566 HA :: 4.484 HB2 :: 3.094 HB3 :: 3.188 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 :: 128.534 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y6 1.Y6 C Shift Assignments>> C :: 173.711 CA :: 58.599 CB :: 63.563 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.878 HA :: 4.24 HB2 :: 3.59 HB3 :: 3.693 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 :: 123.19 Ave N Shift Values>> N :: 116.28(3.52) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 K 0.06 G 0.06 C Shift Assignments>> C :: 176.278 CA :: 56.142 CB :: 30.303 CG :: 27.331 CD :: 43.273 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 :: 7.407 HA :: 3.986 HB2 :: 1.687 HB3 :: 1.687 HG2 :: 1.564 HG3 :: 1.496 HD2 :: 3.168 HD3 :: 3.106 HE :: 7.398 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 :: 120.815 NE :: 83.622 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.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.009 CA :: 45.257 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.127 HA2 :: 3.817 HA3 :: 3.995 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.94 Ave N Shift Values>> N :: 109.67(3.87) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.114 CB :: 63.787 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.842 HA :: 4.778 HB2 :: 3.713 HB3 :: 3.933 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 :: 116.362 Ave N Shift Values>> N :: 116.28(3.52) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 175.005 CA :: 63.451 CB :: 31.31 CG :: 26.647 CD :: 50.85 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) 1.W88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.16 C 0.13 K 0.13 R 0.12 W 0.11 E 0.08 M 0.05 L 0.02 C Shift Assignments>> C :: 173.434 CA :: 53.82 CB :: 29.262 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 :: 7.253 HA :: 5.088 HB2 :: 3.57 HB3 :: 2.875 HD1 :: 7.196 HE1 :: 10.125 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 :: 117.549 NE1 :: 128.81 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.57 P 0.14 K 0.11 I 0.06 V 0.06 R 0.01 Q 0.01 C Shift Assignments>> C :: 177.246 CA :: 62.206 CB :: 33.821 CG :: 25.448 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) 1.C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.13 F 0.1 Y 0.07 N 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 175.252 CA :: 54.673 CB :: 41.326 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.442 HA :: 4.482 HB2 :: 2.582 HB3 :: 2.795 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 :: 123.932 Ave N Shift Values>> N :: 120.17(4.64) 1.G92 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 :: 174.983 CA :: 46.045 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.86 HA2 :: 4.158 HA3 :: 3.624 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.799 Ave N Shift Values>> N :: 109.67(3.87) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.16 Y 0.15 C 0.13 R 0.13 I 0.09 L 0.05 G 0.01 C Shift Assignments>> C :: 175.46 CA :: 60.222 CB :: 42.371 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 :: 8.635 HA :: 4.738 HB2 :: 2.575 HB3 :: 2.31 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 :: 119.034 Ave N Shift Values>> N :: 120.52(4.2) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.29 G 0.16 K 0.04 C Shift Assignments>> C :: 175.804 CA :: 52.948 CB :: 32.376 CG :: 27.092 CD :: 43.427 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 :: 8.754 HA :: 4.771 HB2 :: 1.776 HB3 :: 1.776 HG2 :: 1.593 HG3 :: 1.593 HD2 :: 3.22 HD3 :: 3.22 HE :: 7.252 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 :: 118.737 NE :: 83.608 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.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.34 C 0.12 K 0.01 C Shift Assignments>> C :: 178.107 CA :: 50.924 CB :: 22.511 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.642 HA :: 5.383 HB1 :: 1.253 HB2 :: 1.253 HB3 :: 1.253 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.268 Ave N Shift Values>> N :: 123.23(3.54) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.18 Y 0.18 L 0.15 D 0.09 C 0.09 I 0.03 R 0.02 C Shift Assignments>> C :: 175.24 CA :: 57.569 CB :: 41.211 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 :: 9.066 HA :: 4.865 HB2 :: 3.05 HB3 :: 3.255 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 :: 122.002 Ave N Shift Values>> N :: 120.45(4.18) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.39 R 0.02 C Shift Assignments>> C :: 174.388 CA :: 55.054 CB :: 33.469 CG :: 24.245 CD :: 29.653 CE :: 41.708 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 :: 8.589 HA :: 5.071 HB2 :: 1.833 HB3 :: 1.833 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.079 HE3 :: 2.999 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 :: 128.534 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.02 C Shift Assignments>> C :: 174.131 CA :: 52.524 CB :: 45.525 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 :: 8.629 HA :: 4.875 HB2 :: 2.464 HB3 :: 2.622 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 :: 120.518 Ave N Shift Values>> N :: 120.65(3.86) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.21 F 0.15 Y 0.15 L 0.1 C 0.1 I 0.01 C Shift Assignments>> C :: 174.432 CA :: 54.972 CB :: 39.555 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 :: 9.302 HA :: 5.585 HB2 :: 2.846 HB3 :: 3.042 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 :: 123.784 Ave N Shift Values>> N :: 120.45(4.18) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.22 G 0.18 K 0.16 C Shift Assignments>> C :: 175.769 CA :: 53.957 CB :: 32.87 CG :: 25.332 CD :: 43.607 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 :: 8.363 HA :: 4.635 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 1.635 HG3 :: 1.635 HD2 :: 3.239 HD3 :: 3.239 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 :: 120.221 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.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 I 0.2 Y 0.19 E 0.15 F 0.12 M 0.02 K 0.01 V 0.01 C Shift Assignments>> C :: 175.057 CA :: 59.398 CB :: 37.137 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 :: 7.627 HA :: 4.154 HB2 :: 2.767 HB3 :: 2.767 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 :: 120.518 Ave N Shift Values>> N :: 120.52(4.2) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.27 A 0.01 G 0.01 C Shift Assignments>> C :: 172.716 CA :: 59.178 CB :: 41.618 CG1 :: 23.956 CG2 :: 18.212 CD1 :: 13.594 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 :: 8.102 HA :: 4.626 HB :: 1.641 HG12 :: 1.288 HG13 :: 0.966 HG21 :: 1.019 HG22 :: 1.019 HG23 :: 1.019 HD11 :: 0.266 HD12 :: 0.266 HD13 :: 0.266 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 :: 111.612 Ave N Shift Values>> N :: 121.46(4.28) 1.V103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.67 V 0.31 C Shift Assignments>> C :: 175.235 CA :: 60.566 CB :: 32.936 CG1 :: 19.231 CG2 :: 22.84 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.787 HA :: 4.772 HB :: 1.139 HG11 :: 0.478 HG12 :: 0.478 HG13 :: 0.478 HG21 :: -0.648(S) HG22 :: -0.648(S) HG23 :: -0.648(S) 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 :: 121.706 Ave N Shift Values>> N :: 121.14(4.54) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.05 G 0.03 C Shift Assignments>> C :: 174.145 CA :: 57.59 CB :: 42.61 CG1 :: 33.052 CG2 :: 17.662 CD1 :: 16.159 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 :: 8.532 HA :: 4.919 HB :: 2.064 HG12 :: 1.075 HG13 :: 1.075 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 HD11 :: 0.5 HD12 :: 0.5 HD13 :: 0.5 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 :: 118.143 Ave N Shift Values>> N :: 121.46(4.28) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.14 C 0.09 HN Overlap>> 1.F75 1.F75 C Shift Assignments>> C :: 176.932 CA :: 50.133 CB :: 21.932 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.449 HA :: 4.933 HB1 :: 1.268 HB2 :: 1.268 HB3 :: 1.268 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.924 Ave N Shift Values>> N :: 123.23(3.54) 1.C106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 G 0.25 L 0.07 C Shift Assignments>> C :: 173.703 CA :: 55.57 CB :: 49.007 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.949 HA :: 5.477 HB2 :: 2.42 HB3 :: 3.237 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 :: 119.627 Ave N Shift Values>> N :: 120.17(4.64) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.26 E 0.23 Q 0.01 C Shift Assignments>> C :: 175.947 CA :: 55.813 CB :: 32.706 CG :: 36.533 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 :: 9.081 HA :: 4.496 HB2 :: 1.985 HB3 :: 1.8 HG2 :: 2.138 HG3 :: 2.138 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 :: 122.596 Ave N Shift Values>> N :: 120.67(3.48) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.26 R 0.07 C 0.05 D 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.909 CA :: 55.435 CB :: 44.945 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 :: 9.272 HA :: 4.26 HB2 :: 3.121 HB3 :: 2.703 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 :: 127.049 Ave N Shift Values>> N :: 120.65(3.86) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.706 CA :: 44.614 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.426 HA2 :: 3.785 HA3 :: 3.157 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.221 Ave N Shift Values>> N :: 109.67(3.87) 1.W110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 C 0.14 R 0.12 K 0.11 W 0.11 E 0.07 M 0.06 L 0.01 C Shift Assignments>> C :: 174.13 CA :: 53.191 CB :: 29.352 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 :: 7.845 HA :: 4.619 HB2 :: 2.608 HB3 :: 2.933 HD1 :: 7.078 HE1 :: 9.964 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 :: 120.221 NE1 :: 129.28 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 175.41 CA :: 62.351 CB :: 31.015 CG :: 27.743 CD :: 50.613 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 :: 4.358 HB2 :: 2.281 HB3 :: 2.148 HG2 :: 1.927 HG3 :: 1.927 HD2 :: 3.655 HD3 :: 3.655 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.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.18 I 0.02 C Shift Assignments>> C :: 176.523 CA :: 60.703 CB :: 34.976 CG1 :: 22.98 CG2 :: 18.409 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 :: 8.444 HA :: 4.666 HB :: 2.161 HG11 :: 0.842 HG12 :: 0.842 HG13 :: 0.842 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 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 :: 108.346 Ave N Shift Values>> N :: 121.14(4.54) 1.H113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 Q 0.2 K 0.18 C 0.16 R 0.06 H 0.06 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 172.731 CA :: 55.381 CB :: 33.401 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 :: 7.494 HA :: 5.471 HB2 :: 3.075 HB3 :: 3.178 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 :: 118.737 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.21 Y 0.18 D 0.17 L 0.17 K 0.09 C 0.09 N 0.03 I 0.02 C Shift Assignments>> C :: 173.43 CA :: 56.615 CB :: 40.725 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>> HA :: 4.925 HB2 :: 3.145 HB3 :: 3.045 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) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.23 C 0.07 L 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.243 CA :: 52.62 CB :: 39.375 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 :: 7.43 HA :: 4.537 HB2 :: 2.412 HB3 :: 2.412 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 :: 125.862 Ave N Shift Values>> N :: 120.65(3.86) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.23 E 0.13 R 0.04 I 0.01 M 0.01 C Shift Assignments>> C :: 178.619 CA :: 56.799 CB :: 28.386 CG :: 34.465 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 :: 8.341 HA :: 4.468 HB2 :: 1.774 HB3 :: 1.774 HG2 :: 2.229 HG3 :: 2.229 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 :: 126.456 Ave N Shift Values>> N :: 120.67(3.48) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.824 CA :: 59.791 CB :: 63.133 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.174 HA :: 4.242 HB2 :: 3.907 HB3 :: 4.003 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 :: 114.878 Ave N Shift Values>> N :: 116.28(3.52) 1.F118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 I 0.18 C 0.17 L 0.01 D 0.01 E 0.01 C Shift Assignments>> C :: 175.126 CA :: 58.837 CB :: 38.909 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 :: 7.097 HA :: 4.258 HB2 :: 2.731 HB3 :: 2.952 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 :: 121.706 Ave N Shift Values>> N :: 120.45(4.18) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 175.02 CA :: 59.641 CB :: 38.247 CG1 :: 27.385 CG2 :: 18.18 CD1 :: 12.824 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.129 HA :: 3.961 HB :: 1.87 HG12 :: 1.473 HG13 :: 1.249 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 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 :: 118.44 Ave N Shift Values>> N :: 121.46(4.28) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.763 CA :: 55.601 CB :: 63.422 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.442 HA :: 4.56 HB2 :: 3.748 HB3 :: 3.612 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 :: 117.549 Ave N Shift Values>> N :: 116.28(3.52) 1.P121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 113 #Clerical: 1 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 1 C Shift Results: #Consistent: 464 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 717 #Duplicate: 0 #Unknown: 3 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K8 CE = 44.886(S), Expected = 41.89, Std = 0.8200, ChiSquare = 2.5853e-04 1.H13 HB2 = 1.796(S), Expected = 3.10, Std = 0.3600, ChiSquare = 2.9208e-04 1.H13 N = 106.12(S), Expected = 119.69, Std = 4.0000, ChiSquare = 6.9258e-04 1.K17 HZ1 = 7.142(U) 1.K17 HZ2 = 7.142(U) 1.K17 HZ3 = 7.142(U) 1.R21 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.M29 HB2 = 0.863(S), Expected = 2.03, Std = 0.3400, ChiSquare = 5.9837e-04 1.N43 CB = 44.674(S), Expected = 38.69, Std = 1.6900, ChiSquare = 3.9887e-04 1.T44 H = 10.358(S), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3518e-04 1.V103 HG21 = -0.648(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.3231e-07 1.V103 HG22 = -0.648(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.3231e-07 1.V103 HG23 = -0.648(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.3231e-07