Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.46 Q 0.33 E 0.12 K 0.06 C Shift Assignments>> CA :: 55.862 CB :: 34.042 CG :: 31.338 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>> HA :: 4.27225 HB2 :: 2.48525 HB3 :: 2.56825 HG2 :: 2.18725 HG3 :: 2.29125 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) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CB :: 40.032 CG2 :: 18.138 CD1 :: 13.728 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 :: 9.14825 HB :: 2.05325 HG21 :: 1.04225 HG22 :: 1.04225 HG23 :: 1.04225 HD11 :: 0.92825 HD12 :: 0.92825 HD13 :: 0.92825 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 :: 123.202 Ave N Shift Values>> N :: 121.46(4.28) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.911 CB :: 39.555 CG1 :: 28.093 CG2 :: 18.492 CD1 :: 13.242 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 :: 9.41625 HA :: 4.43025 HB :: 2.02425 HG12 :: 1.22125 HG13 :: 1.52425 HG21 :: 0.94425 HG22 :: 0.94425 HG23 :: 0.94425 HD11 :: 0.84625 HD12 :: 0.84625 HD13 :: 0.84625 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 :: 108.681 Ave N Shift Values>> N :: 121.46(4.28) 1.N4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.08125 HD21 :: 6.82825 HD22 :: 8.32225 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 :: 123.966 ND2 :: 113.994 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.3 L 0.16 F 0.06 Y 0.04 K 0.03 HN Overlap>> 1.L43 1.L43 C Shift Assignments>> CA :: 52.356 CB :: 40.713 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 :: 9.36925 HA :: 5.42925 HB2 :: 2.78125 HB3 :: 3.24525 HD21 :: 7.02625 HD22 :: 6.96025 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 :: 120.745 ND2 :: 112.914 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.11 L 0.02 V 0.01 HN Overlap>> 1.E35 1.A46 1.E35 1.A46 C Shift Assignments>> CA :: 60.599 CD1 :: 28.314 CD2 :: 25.04 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 :: 8.53825 HA :: 3.76625 HD11 :: 1.06225 HD12 :: 1.06225 HD13 :: 1.06225 HD21 :: 0.92325 HD22 :: 0.92325 HD23 :: 0.92325 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 :: 120.594 Ave N Shift Values>> N :: 121.86(3.9) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 R 0.4 G 0.15 C Shift Assignments>> CA :: 61.306 CB :: 33.203 CG :: 25.253 CD :: 30.628 CE :: 42.81 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 :: 8.94025 HA :: 3.90825 HB2 :: 1.76825 HB3 :: 1.96325 HG2 :: 1.31325 HG3 :: 1.41125 HD2 :: 1.72425 HD3 :: 1.79225 HE2 :: 3.04225 HE3 :: 3.05625 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.177 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.26 G 0.06 C Shift Assignments>> CA :: 58.29 CB :: 42.928 CG :: 27.515 CD1 :: 25.764 CD2 :: 24.943 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 :: 7.68725 HA :: 4.17225 HB2 :: 1.70525 HB3 :: 1.84025 HG :: 1.73725 HD11 :: 1.04025 HD12 :: 1.04025 HD13 :: 1.04025 HD21 :: 0.96925 HD22 :: 0.96925 HD23 :: 0.96925 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 :: 116.356 Ave N Shift Values>> N :: 121.86(3.9) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.858 CB :: 37.83 CG1 :: 28.278 CG2 :: 18.942 CD1 :: 12.334 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 :: 8.22525 HA :: 3.81325 HB :: 1.96525 HG12 :: 1.53625 HG13 :: 1.73325 HG21 :: 0.94525 HG22 :: 0.94525 HG23 :: 0.94525 HD11 :: 0.78625 HD12 :: 0.78625 HD13 :: 0.78625 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 :: 119.134 Ave N Shift Values>> N :: 121.46(4.28) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.15 K 0.12 C Shift Assignments>> CA :: 61.668 CB :: 29.399 CG :: 27.97 CD :: 42.71 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 :: 9.25925 HA :: 3.87925 HB2 :: 1.74725 HB3 :: 2.15125 HG2 :: 1.40425 HG3 :: 2.21725 HD2 :: 2.86225 HD3 :: 3.08325 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 :: 120.162 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.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 E 0.19 C Shift Assignments>> CA :: 60.286 CB :: 29.814 CG :: 38.251 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 :: 8.70325 HA :: 4.17225 HB2 :: 2.06925 HB3 :: 2.28625 HG2 :: 2.22525 HG3 :: 2.82825 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 :: 115.878 Ave N Shift Values>> N :: 120.67(3.48) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.4 G 0.06 C Shift Assignments>> CA :: 60.275 CB :: 32.898 CG :: 25.92 CD :: 30.243 CE :: 42.768 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 :: 8.25625 HA :: 4.20625 HB2 :: 2.16625 HB3 :: 2.22525 HG2 :: 1.61125 HG3 :: 1.73425 HD2 :: 1.77525 HD3 :: 1.79025 HE2 :: 3.03625 HE3 :: 3.05525 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 :: 122.935 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.38 G 0.02 C Shift Assignments>> CA :: 55.931 CB :: 32.449 CG :: 25.837 CD :: 29.082 CE :: 42.486 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 :: 7.81325 HA :: 4.29625 HB2 :: 1.97725 HB3 :: 2.14425 HG2 :: 1.61925 HG3 :: 1.78625 HD2 :: 1.73025 HD3 :: 1.75725 HE2 :: 3.05825 HE3 :: 3.25525 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 :: 116.35 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.33 G 0.02 C Shift Assignments>> CA :: 57.788 CB :: 29.048 CG :: 25.642 CD :: 29.821 CE :: 42.387 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 :: 8.06825 HA :: 3.96325 HB2 :: 2.06025 HB3 :: 2.22825 HG2 :: 1.49125 HG3 :: 1.54325 HD2 :: 1.78725 HD3 :: 1.87925 HE2 :: 3.15825 HE3 :: 3.25225 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 :: 115.317 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> CA :: 60.058 CB :: 41.796 CG1 :: 28.212 CG2 :: 18.171 CD1 :: 14.272 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 :: 7.57325 HA :: 4.61225 HB :: 1.61825 HG12 :: 1.18325 HG13 :: 1.66325 HG21 :: 1.03825 HG22 :: 1.03825 HG23 :: 1.03825 HD11 :: 0.85125 HD12 :: 0.85125 HD13 :: 0.85125 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 :: 118.373 Ave N Shift Values>> N :: 121.46(4.28) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.12 F 0.12 Y 0.11 E 0.11 K 0.09 R 0.08 S 0.08 Q 0.07 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.781 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.45725 HA :: 4.56625 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 :: 125.057 Ave N Shift Values>> N :: 116.28(3.52) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 V 0.2 P 0.14 W 0.13 E 0.03 R 0.02 K 0.02 Q 0.01 C Shift Assignments>> CA :: 62.662 CB :: 29.661 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 :: 9.54425 HA :: 3.77825 HB2 :: 1.85625 HB3 :: 2.29725 HE21 :: 7.57125 HE22 :: 7.91025 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 :: 120.197 NE2 :: 112.627 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.98525 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 :: 112.998 Ave N Shift Values>> N :: 116.28(3.52) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.43 M 0.04 K 0.01 C Shift Assignments>> CA :: 59.513 CB :: 30.439 CG :: 37.766 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 :: 8.34925 HA :: 4.10625 HB2 :: 1.97625 HB3 :: 2.36225 HG2 :: 2.31425 HG3 :: 2.36025 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 :: 124.112 Ave N Shift Values>> N :: 120.67(3.48) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 L 0.29 V 0.04 C Shift Assignments>> CA :: 58.392 CD1 :: 27.9 CD2 :: 22.958 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 :: 8.32125 HA :: 4.12625 HD11 :: 1.02625 HD12 :: 1.02625 HD13 :: 1.02625 HD21 :: 1.02825 HD22 :: 1.02825 HD23 :: 1.02825 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 :: 119.955 Ave N Shift Values>> N :: 121.86(3.9) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.17 I 0.1 C Shift Assignments>> CA :: 56.272 CB :: 17.735 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.59525 HA :: 3.70925 HB1 :: 1.49625 HB2 :: 1.49625 HB3 :: 1.49625 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.83 Ave N Shift Values>> N :: 123.23(3.54) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.04 C Shift Assignments>> CA :: 55.509 CB :: 18.53 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.81825 HA :: 4.26325 HB1 :: 1.55725 HB2 :: 1.55725 HB3 :: 1.55725 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.258 Ave N Shift Values>> N :: 123.23(3.54) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CA :: 58 CG :: 26.892 CD1 :: 25.696 CD2 :: 22.945 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 :: 7.53725 HA :: 3.96025 HG :: 1.76125 HD11 :: 0.89025 HD12 :: 0.89025 HD13 :: 0.89025 HD21 :: 0.88225 HD22 :: 0.88225 HD23 :: 0.88225 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 :: 118.586 Ave N Shift Values>> N :: 121.86(3.9) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 L 0.07 C Shift Assignments>> CA :: 55.694 CG :: 28.71 CD1 :: 25.385 CD2 :: 28.937 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 :: 7.44825 HA :: 4.26325 HG :: 1.94225 HD11 :: 0.90125 HD12 :: 0.90125 HD13 :: 0.90125 HD21 :: 0.83025 HD22 :: 0.83025 HD23 :: 0.83025 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 :: 114.488 Ave N Shift Values>> N :: 121.86(3.9) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 E 0.33 L 0.04 K 0.03 C Shift Assignments>> CA :: 58.048 CB :: 27.893 CG :: 37.701 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 :: 8.02825 HA :: 3.96525 HB2 :: 2.22525 HB3 :: 2.40025 HG2 :: 2.24925 HG3 :: 2.31825 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 :: 114.895 Ave N Shift Values>> N :: 120.67(3.48) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 A 0.03 I 0.03 L 0.01 C Shift Assignments>> CA :: 59.181 CG1 :: 22.505 CG2 :: 19.016 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 :: 7.99025 HA :: 4.87325 HG11 :: 0.96225 HG12 :: 0.96225 HG13 :: 0.96225 HG21 :: 0.83125 HG22 :: 0.83125 HG23 :: 0.83125 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 :: 109.697 Ave N Shift Values>> N :: 121.14(4.54) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.345 CB :: 63.11 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.63325 HA :: 4.64325 HB2 :: 3.93425 HB3 :: 4.03025 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 :: 114.369 Ave N Shift Values>> N :: 116.28(3.52) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 R 0.41 C Shift Assignments>> CA :: 60.758 CB :: 29.95 CG :: 28.008 CD :: 44.203 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 :: 8.23625 HA :: 3.72825 HB2 :: 1.88325 HB3 :: 1.99925 HG2 :: 1.57525 HG3 :: 1.71325 HD2 :: 3.20125 HD3 :: 3.30825 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.276 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.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 E 0.25 Q 0.23 I 0.2 R 0.03 C Shift Assignments>> CA :: 60.013 CB :: 28.468 CG :: 34.854 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 :: 8.83525 HA :: 4.15325 HB2 :: 2.08825 HB3 :: 2.20425 HG2 :: 2.57425 HG3 :: 2.62925 HE21 :: 7.79425 HE22 :: 7.14225 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.309 NE2 :: 112.675 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 68.6 CB :: 67.556 CG2 :: 21.576 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 :: 8.13625 HA :: 4.41825 HB :: 3.91525 HG21 :: 0.89625 HG22 :: 0.89625 HG23 :: 0.89625 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 :: 119.984 Ave N Shift Values>> N :: 115.42(4.75) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.929 CB :: 35.977 CG1 :: 27.998 CG2 :: 19.059 CD1 :: 9.737 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 :: 7.16225 HA :: 3.78525 HB :: 2.23025 HG12 :: 1.37925 HG13 :: 1.68325 HG21 :: 0.98125 HG22 :: 0.98125 HG23 :: 0.98125 HD11 :: 0.67025 HD12 :: 0.67025 HD13 :: 0.67025 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 :: 118.828 Ave N Shift Values>> N :: 121.46(4.28) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.32 I 0.11 L 0.08 D 0.07 K 0.03 N 0.01 C Shift Assignments>> CA :: 58.195 CB :: 40.145 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 :: 8.66825 HA :: 4.33025 HB2 :: 2.80025 HB3 :: 2.79125 HD21 :: 8.14425 HD22 :: 7.27025 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.028 ND2 :: 116.664 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.65625 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.941 Ave N Shift Values>> N :: 109.67(3.87) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.54 CB :: 39.186 CG1 :: 29.845 CG2 :: 18.954 CD1 :: 15.393 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 :: 8.20525 HA :: 4.28425 HB :: 2.13125 HG12 :: 1.00625 HG13 :: 2.25825 HG21 :: 1.18125 HG22 :: 1.18125 HG23 :: 1.18125 HD11 :: 0.87525 HD12 :: 0.87525 HD13 :: 0.87525 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 :: 122.198 Ave N Shift Values>> N :: 121.46(4.28) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 E 0.12 HN Overlap>> 1.L6 1.L6 C Shift Assignments>> CA :: 60.592 CB :: 29.752 CG :: 38.482 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 :: 8.59225 HA :: 4.21325 HB2 :: 2.05125 HB3 :: 2.32825 HG2 :: 2.33925 HG3 :: 2.82325 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 :: 120.651 Ave N Shift Values>> N :: 120.67(3.48) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.45 G 0.05 C Shift Assignments>> CA :: 56.284 CB :: 32.839 CG :: 25.847 CD :: 29.316 CE :: 43.055 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 :: 8.11125 HA :: 4.50225 HB2 :: 1.81825 HB3 :: 2.24525 HG2 :: 1.59325 HG3 :: 1.69525 HD2 :: 1.72125 HD3 :: 1.73425 HE2 :: 3.13525 HE3 :: 3.12225 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 :: 115.995 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.22 F 0.18 E 0.13 D 0.07 M 0.04 I 0.04 L 0.02 C Shift Assignments>> CA :: 55.688 CB :: 37.804 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 :: 8.22325 HA :: 4.74825 HB2 :: 3.02525 HB3 :: 3.24025 HD21 :: 7.31425 HD22 :: 7.85525 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 :: 114.563 ND2 :: 113.758 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.41 G 0.03 C Shift Assignments>> CA :: 56.996 CB :: 34.136 CG :: 25.593 CD :: 29.282 CE :: 42.765 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 :: 8.73425 HA :: 4.42125 HB2 :: 1.63525 HB3 :: 1.93825 HG2 :: 1.42325 HG3 :: 1.55125 HD2 :: 1.74425 HD3 :: 1.75825 HE2 :: 3.07925 HE3 :: 3.09525 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 :: 115.051 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 56.377 CD1 :: 133.935 CD2 :: 133.935 CE1 :: 118.69 CE2 :: 118.69 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 :: 7.08925 HA :: 4.60925 HD1 :: 6.93725 HD2 :: 6.93725 HE1 :: 6.83325 HE2 :: 6.83325 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.976 Ave N Shift Values>> N :: 120.52(4.2) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.21 I 0.19 N 0.18 D 0.09 L 0.03 C Shift Assignments>> CB :: 39.376 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 :: 8.86225 HB2 :: 2.59725 HB3 :: 2.68325 HD21 :: 7.80525 HD22 :: 7.15025 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 :: 123.607 ND2 :: 113.426 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.47 CB :: 32.461 CG :: 27.322 CD :: 50.797 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 :: 3.78925 HB2 :: 2.14525 HB3 :: 1.77825 HG2 :: 1.41625 HG3 :: 1.75625 HD2 :: 2.59725 HD3 :: 3.23025 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.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.14 F 0.13 W 0.12 S 0.11 E 0.09 K 0.08 R 0.07 Q 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.198 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.05625 HA :: 4.55625 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 :: 125.65 Ave N Shift Values>> N :: 116.28(3.52) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 K 0.09 HN Overlap>> 1.N5 1.N5 C Shift Assignments>> CA :: 59.245 CD1 :: 26.092 CD2 :: 23.912 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 :: 9.29625 HA :: 3.91325 HD11 :: 0.32425 HD12 :: 0.32425 HD13 :: 0.32425 HD21 :: 0.72625 HD22 :: 0.72625 HD23 :: 0.72625 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 :: 120.689 Ave N Shift Values>> N :: 121.86(3.9) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 E 0.33 K 0.17 Q 0.12 M 0.01 C Shift Assignments>> CA :: 60.872 CB :: 29.15 CG :: 35.296 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 :: 8.91525 HA :: 3.69725 HB2 :: 2.18325 HB3 :: 2.03425 HG2 :: 2.18725 HG3 :: 2.23625 HE21 :: 7.18825 HE22 :: 7.75625 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 :: 115.96 NE2 :: 113.952 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 K 0.02 C Shift Assignments>> CA :: 55.524 CG :: 26.955 CD1 :: 27.413 CD2 :: 24.943 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 :: 8.09325 HA :: 3.89225 HG :: 1.63825 HD11 :: 1.06825 HD12 :: 1.06825 HD13 :: 1.06825 HD21 :: 1.11025 HD22 :: 1.11025 HD23 :: 1.11025 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 :: 119.431 Ave N Shift Values>> N :: 121.86(3.9) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 L 0.23 V 0.19 M 0.14 T 0.11 I 0.02 HN Overlap>> 1.L6 1.L6 C Shift Assignments>> CA :: 56.501 CB :: 20.653 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.51225 HA :: 4.03425 HB1 :: 1.34625 HB2 :: 1.34625 HB3 :: 1.34625 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.497 Ave N Shift Values>> N :: 123.23(3.54) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 L 0.13 R 0.03 C Shift Assignments>> CA :: 58.401 CD1 :: 24.213 CD2 :: 27.747 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 :: 8.67525 HA :: 4.21425 HD11 :: 1.11525 HD12 :: 1.11525 HD13 :: 1.11525 HD21 :: 0.85925 HD22 :: 0.85925 HD23 :: 0.85925 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 :: 116.461 Ave N Shift Values>> N :: 121.86(3.9) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.31 G 0.07 C Shift Assignments>> CA :: 60.727 CB :: 33.168 CG :: 25.136 CD :: 30.437 CE :: 42.618 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 :: 8.05325 HA :: 3.58025 HB2 :: 1.50925 HB3 :: 1.72025 HG2 :: 0.91425 HG3 :: 0.88525 HD2 :: 1.33325 HD3 :: 1.21725 HE2 :: 2.72225 HE3 :: 2.68025 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 :: 120.97 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 V 0.07 C Shift Assignments>> CA :: 68.102 CG1 :: 32.73 CG2 :: 20.022 CD1 :: 14.457 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 :: 8.78325 HA :: 3.59825 HG12 :: 0.97125 HG13 :: 2.31225 HG21 :: 1.10225 HG22 :: 1.10225 HG23 :: 1.10225 HD11 :: 0.99625 HD12 :: 0.99625 HD13 :: 0.99625 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 :: 120.407 Ave N Shift Values>> N :: 121.46(4.28) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.28 I 0.1 V 0.03 L 0.01 C Shift Assignments>> CA :: 56.4 CB :: 18.905 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.18225 HA :: 4.07025 HB1 :: 1.79925 HB2 :: 1.79925 HB3 :: 1.79925 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 123.23(3.54) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 62.353 CD1 :: 134.183 CD2 :: 134.183 CE1 :: 118.69 CE2 :: 118.69 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 :: 8.17025 HA :: 4.35325 HD1 :: 6.56525 HD2 :: 6.56525 HE1 :: 6.74725 HE2 :: 6.74725 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 :: 117.07 Ave N Shift Values>> N :: 120.52(4.2) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 63.808 CD1 :: 134.493 CD2 :: 134.493 CE1 :: 118.597 CE2 :: 118.597 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 :: 9.07925 HA :: 4.30425 HD1 :: 7.47025 HD2 :: 7.47025 HE1 :: 7.01625 HE2 :: 7.01625 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 :: 118.548 Ave N Shift Values>> N :: 120.52(4.2) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 L 0.45 R 0.04 C Shift Assignments>> CA :: 55.044 CD1 :: 24.599 CD2 :: 27.236 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 :: 8.41725 HA :: 4.53625 HD11 :: 0.86125 HD12 :: 0.86125 HD13 :: 0.86125 HD21 :: 0.77825 HD22 :: 0.77825 HD23 :: 0.77825 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 :: 115.427 Ave N Shift Values>> N :: 121.86(3.9) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.17 Y 0.17 F 0.15 L 0.06 E 0.02 I 0.01 M 0.01 C Shift Assignments>> CA :: 54.691 CB :: 38.631 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 :: 8.09025 HA :: 4.44925 HB2 :: 2.56325 HB3 :: 3.05225 HD21 :: 7.01625 HD22 :: 7.78325 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 :: 122.105 ND2 :: 112.555 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 A 0.06 C Shift Assignments>> CA :: 60.962 CB :: 75.743(S) CG2 :: 21.169 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 :: 8.25525 HA :: 4.93325 HB :: 3.61225 HG21 :: 1.46425 HG22 :: 1.46425 HG23 :: 1.46425 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 :: 114.929 Ave N Shift Values>> N :: 115.42(4.75) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.56 P 0.39 W 0.01 C Shift Assignments>> CA :: 63.604 CB :: 32.919 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 :: 4.59625 HB2 :: 2.57225 HB3 :: 1.95225 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.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.78 K 0.17 P 0.02 C Shift Assignments>> CA :: 60.622 CD1 :: 27.362 CD2 :: 28.322 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>> HA :: 4.07025 HD11 :: 1.21825 HD12 :: 1.21825 HD13 :: 1.21825 HD21 :: 1.16025 HD22 :: 1.16025 HD23 :: 1.16025 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) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.15 Y 0.12 F 0.12 W 0.1 I 0.09 E 0.06 V 0.06 T 0.06 K 0.05 R 0.05 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.499 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 :: 9.36525 HA :: 4.87425 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 :: 123.143 Ave N Shift Values>> N :: 120.67(3.48) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 L 0.2 D 0.19 Y 0.17 K 0.13 N 0.03 I 0.02 R 0.01 C Shift Assignments>> CA :: 56.462 CB :: 40.891 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.01425 HA :: 4.62325 HB2 :: 2.57925 HB3 :: 2.92025 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.681 Ave N Shift Values>> N :: 120.65(3.86) 1.I60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 V 0.34 C Shift Assignments>> CG2 :: 15.579 CD1 :: 19.326(S) 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 :: 8.20925 HG21 :: 0.87525 HG22 :: 0.87525 HG23 :: 0.87525 HD11 :: 0.08725 HD12 :: 0.08725 HD13 :: 0.08725 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 :: 119.519 Ave N Shift Values>> N :: 121.46(4.28) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CD1 :: 133.749 CD2 :: 133.749 CE1 :: 131.295 CE2 :: 131.053 CZ :: 128.605 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 :: 8.53225 HD1 :: 7.30625 HD2 :: 7.30625 HE1 :: 7.26625 HE2 :: 7.24925 HZ :: 7.07025 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 :: 115.96 Ave N Shift Values>> N :: 120.45(4.18) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.23 K 0.16 V 0.15 E 0.11 I 0.02 R 0.01 Y 0.01 W 0.01 P 0.01 C Shift Assignments>> CG :: 34.621 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 :: 8.75225 HG2 :: 2.37825 HG3 :: 2.51225 HE21 :: 6.71625 HE22 :: 7.69425 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.724 NE2 :: 111.039 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.75 Y 0.24 C Shift Assignments>> CE3 :: 120.859 CZ2 :: 115.158 CZ3 :: 118.721 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 :: 9.47625 HE3 :: 7.02125 HZ2 :: 7.58025 HZ3 :: 6.93025 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.611 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 Q 0.24 E 0.04 K 0.02 C Shift Assignments>> CA :: 52.402 CB :: 31.573 CG :: 34.044 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 :: 7.98925 HA :: 4.17925 HB2 :: 1.64525 HB3 :: 1.81925 HG2 :: 2.12525 HG3 :: 2.11225 HE21 :: 7.06525 HE22 :: 7.64225 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 :: 127.087 NE2 :: 112.84 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.25 T 0.23 I 0.18 P 0.15 S 0.09 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CA :: 62.514 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 :: 4.68225 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.E66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.48325 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 :: 123.557 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 64 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 62 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 66 #Suspicious: 0 C Shift Results: #Consistent: 200 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 443 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T55 CB = 75.743(S), Expected = 69.73, Std = 1.6300, ChiSquare = 2.2518e-04 1.I60 CD1 = 19.326(S), Expected = 13.43, Std = 1.6700, ChiSquare = 4.1471e-04