Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> C :: 171.21 CA :: 61.62 CB :: 32.80 CG1 :: 20.18 CG2 :: 20.18 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> HA :: 3.66 HB :: 1.97 HG11 :: 0.68 HG12 :: 0.68 HG13 :: 0.68 HG21 :: 0.68 HG22 :: 0.68 HG23 :: 0.68 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.26 L 0.14 F 0.08 Y 0.08 K 0.04 C Shift Assignments>> C :: 176.64 CA :: 53.47 CB :: 40.35 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.48 HA :: 4.61 HB2 :: 2.51 HB3 :: 2.77 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.33 Ave N Shift Values>> N :: 120.73(4.2) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 A 0.16 C Shift Assignments>> C :: 178.42 CA :: 55.46 CB :: 30.63 CG :: 32.01 CE :: 16.13 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.65 HA :: 4.32 HB2 :: 2.05 HB3 :: 1.93 HG2 :: 2.65 HG3 :: 2.42 HE1 :: 1.86 HE2 :: 1.86 HE3 :: 1.86 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.40 Ave N Shift Values>> N :: 120.1(3.88) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.85 CA :: 60.95 CB :: 62.98 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.48 HA :: 4.20 HB2 :: 3.84 HB3 :: 3.84 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.77 Ave N Shift Values>> N :: 116.3(3.95) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.33 L 0.08 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 174.36 CA :: 52.60 CB :: 39.84 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.02 HA :: 4.91 HB2 :: 3.07 HB3 :: 2.69 HD21 :: 7.37 HD22 :: 6.79 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.92 ND2 :: 112.65 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.23 CA :: 63.41 CB :: 33.16 CG1 :: 23.05 CG2 :: 22.33 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.46 HA :: 3.93 HB :: 1.90 HG11 :: 0.69 HG12 :: 0.69 HG13 :: 0.69 HG21 :: 0.69 HG22 :: 0.69 HG23 :: 0.69 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.39 Ave N Shift Values>> N :: 121.02(4.96) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.46 CA :: 62.24 CB :: 33.03 CG1 :: 21.41 CG2 :: 20.23 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.16 HA :: 4.20 HB :: 1.91 HG11 :: 0.81 HG12 :: 0.81 HG13 :: 0.81 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.47 Ave N Shift Values>> N :: 121.02(4.96) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.29 M 0.02 G 0.01 C Shift Assignments>> C :: 172.61 CA :: 56.04 CB :: 35.87 CG :: 24.73 CD :: 28.95 CE :: 41.90 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.36 HA :: 4.29 HB2 :: 1.62 HB3 :: 1.33 HG2 :: 0.82 HG3 :: 0.82 HD2 :: 1.38 HD3 :: 1.38 HE2 :: 2.49 HE3 :: 2.29 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.93 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.79 CA :: 61.62 CB :: 72.00 CG2 :: 22.36 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.15 HA :: 5.26 HB :: 3.52 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.62 Ave N Shift Values>> N :: 115.7(5.05) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.27 D 0.16 L 0.1 N 0.06 I 0.05 K 0.03 E 0.01 C Shift Assignments>> C :: 174.13 CA :: 56.63 CB :: 39.74 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.53 HA :: 4.55 HB2 :: 2.62 HB3 :: 2.45 HD1 :: 6.82 HD2 :: 6.82 HE1 :: 6.46 HE2 :: 6.46 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.56 Ave N Shift Values>> N :: 120.79(4.69) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.16 N 0.07 R 0.07 F 0.07 Y 0.05 C Shift Assignments>> C :: 175.86 CA :: 54.01 CB :: 41.71 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.84 HA :: 4.80 HB2 :: 2.57 HB3 :: 2.50 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.09 Ave N Shift Values>> N :: 120.73(4.2) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.09 R 0.06 C Shift Assignments>> C :: 179.05 CA :: 54.55 CB :: 40.66 CG :: 27.60 CD1 :: 26.20 CD2 :: 22.79 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.68 HA :: 4.68 HB2 :: 1.93 HB3 :: 1.61 HG :: 1.46 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 0.51 HD22 :: 0.51 HD23 :: 0.51 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.47 Ave N Shift Values>> N :: 121.98(4.07) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.31 R 0.15 E 0.09 M 0.04 I 0.02 P 0.01 HN Overlap>> 1.M36 1.M36 C Shift Assignments>> C :: 176.01 CA :: 58.88 CB :: 28.45 CG :: 33.25 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.37 HA :: 3.85 HB2 :: 1.97 HB3 :: 1.82 HG2 :: 2.31 HG3 :: 2.23 HE21 :: 7.31 HE22 :: 6.68 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.16 NE2 :: 110.80 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.33 L 0.1 F 0.09 Y 0.09 K 0.02 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 177.11 CA :: 53.58 CB :: 39.87 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.93 HA :: 4.41 HB2 :: 3.02 HB3 :: 2.55 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.61 Ave N Shift Values>> N :: 120.73(4.2) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 174.56 CA :: 45.05 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.79 HA2 :: 4.24 HA3 :: 3.67 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.98 Ave N Shift Values>> N :: 109.91(4.29) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.37 CA :: 59.07 CB :: 64.05 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.03 HA :: 4.41 HB2 :: 3.94 HB3 :: 3.82 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.77 Ave N Shift Values>> N :: 116.3(3.95) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.17 G 0.05 M 0.01 C Shift Assignments>> C :: 174.88 CA :: 55.25 CB :: 37.64 CG :: 25.34 CD :: 29.82 CE :: 42.45 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.84 HA :: 5.13 HB2 :: 1.24 HB3 :: 1.07 HG2 :: 1.36 HG3 :: 1.24 HD2 :: 1.53 HD3 :: 1.53 HE2 :: 2.90 HE3 :: 2.90 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.85 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> C :: 174.22 CA :: 60.98 CB :: 34.54 CG1 :: 21.57 CG2 :: 20.75 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.54 HA :: 4.44 HB :: 1.88 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.79 HG22 :: 0.79 HG23 :: 0.79 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.70 Ave N Shift Values>> N :: 121.02(4.96) 1.H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.24 K 0.22 H 0.08 R 0.06 E 0.03 V 0.01 C Shift Assignments>> C :: 173.72 CA :: 54.21 CB :: 33.47 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.08 HA :: 5.27 HB2 :: 2.38 HB3 :: 2.22 HD2 :: 6.70 HE1 :: 7.62 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.09 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R47 1.R47 1.M28 1.M28 C Shift Assignments>> C :: 175.83 CA :: 61.65 CB :: 32.93 CG1 :: 21.07 CG2 :: 20.78 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.82 HA :: 4.33 HB :: 1.87 HG11 :: 0.96 HG12 :: 0.96 HG13 :: 0.96 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.39 Ave N Shift Values>> N :: 121.02(4.96) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 K 0.18 L 0.14 D 0.1 I 0.05 R 0.03 N 0.01 HN Overlap>> 1.F60 1.F60 C Shift Assignments>> C :: 178.35 CA :: 57.57 CB :: 40.88 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.08 HA :: 5.35 HB2 :: 3.33 HB3 :: 3.10 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 7.05 HE2 :: 7.05 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.02 Ave N Shift Values>> N :: 120.69(4.18) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.41 M 0.02 G 0.01 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> C :: 176.19 CA :: 59.45 CB :: 32.94 CG :: 25.88 CD :: 29.70 CE :: 42.17 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.58 HA :: 3.88 HB2 :: 1.84 HB3 :: 1.84 HG2 :: 1.37 HG3 :: 1.37 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.90 HE3 :: 2.90 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.70 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.34 L 0.1 F 0.08 Y 0.08 K 0.02 HN Overlap>> 1.D14 1.D14 C Shift Assignments>> C :: 177.11 CA :: 53.24 CB :: 39.92 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.04 HA :: 4.49 HB2 :: 3.01 HB3 :: 2.56 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.61 Ave N Shift Values>> N :: 120.73(4.2) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 174.57 CA :: 45.24 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.15 HA2 :: 4.26 HA3 :: 3.59 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.44 Ave N Shift Values>> N :: 109.91(4.29) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.39 M 0.02 G 0.01 C Shift Assignments>> C :: 174.40 CA :: 56.49 CB :: 33.08 CG :: 25.93 CD :: 28.90 CE :: 42.24 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.65 HA :: 4.41 HB2 :: 1.97 HB3 :: 1.87 HG2 :: 1.41 HG3 :: 1.30 HD2 :: 1.60 HD3 :: 1.60 HE2 :: 2.87 HE3 :: 2.87 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.54 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 176.06 CA :: 54.31 CB :: 36.61 CG :: 32.14 CE :: 17.62 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.37 HA :: 5.53 HB2 :: 1.95 HB3 :: 1.91 HG2 :: 2.47 HG3 :: 2.42 HE1 :: 1.80 HE2 :: 1.80 HE3 :: 1.80 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.53 Ave N Shift Values>> N :: 120.1(3.88) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 170.52 CA :: 45.06 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.91 HA2 :: 4.55 HA3 :: 4.01 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.67 Ave N Shift Values>> N :: 109.91(4.29) 1.M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 HN Overlap>> 1.V20 1.V20 C Shift Assignments>> C :: 174.82 CA :: 54.23 CB :: 36.80 CG :: 33.12 CE :: 18.35 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.76 HA :: 5.56 HB2 :: 1.94 HB3 :: 1.75 HG2 :: 2.37 HG3 :: 2.34 HE1 :: 1.92 HE2 :: 1.92 HE3 :: 1.92 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.39 Ave N Shift Values>> N :: 120.1(3.88) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 E 0.25 Q 0.01 C Shift Assignments>> C :: 175.41 CA :: 53.80 CB :: 34.13 CG :: 36.21 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.90 HA :: 5.21 HB2 :: 1.85 HB3 :: 1.80 HG2 :: 2.16 HG3 :: 2.16 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.94 Ave N Shift Values>> N :: 120.68(3.68) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.19 Y 0.04 F 0.04 L 0.02 C Shift Assignments>> C :: 177.42 CA :: 51.29 CB :: 38.80 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.71 HA :: 4.81 HB2 :: 3.49 HB3 :: 3.19 HD21 :: 7.91 HD22 :: 7.36 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.31 ND2 :: 112.60 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.44 R 0.38 M 0.15 G 0.01 C Shift Assignments>> C :: 175.81 CA :: 58.34 CB :: 31.66 CG :: 22.73 CD :: 29.39 CE :: 41.96 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.36 HA :: 3.89 HB2 :: 1.65 HB3 :: 1.24 HG2 :: 0.75 HG3 :: 0.05(S) HD2 :: 1.36 HD3 :: 1.37 HE2 :: 2.67 HE3 :: 2.67 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.00 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.27 D 0.12 N 0.08 I 0.07 L 0.06 E 0.04 C Shift Assignments>> C :: 176.12 CA :: 56.73 CB :: 39.05 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.36 HA :: 4.73 HB2 :: 3.51 HB3 :: 2.78 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 7.30 HE2 :: 7.30 HZ :: 7.24 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.69 Ave N Shift Values>> N :: 120.69(4.18) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 173.99 CA :: 45.49 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.16 HA2 :: 4.18 HA3 :: 3.92 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.21 Ave N Shift Values>> N :: 109.91(4.29) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.03 G 0.02 C Shift Assignments>> C :: 176.42 CA :: 54.44 CB :: 32.91 CG :: 24.67 CD :: 28.57 CE :: 42.33 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.73 HA :: 4.48 HB2 :: 1.80 HB3 :: 1.71 HG2 :: 1.49 HG3 :: 1.38 HD2 :: 1.62 HD3 :: 1.62 HE2 :: 2.95 HE3 :: 2.95 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.47 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.85 CA :: 59.41 CB :: 63.95 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.61 HA :: 4.78 HB2 :: 3.89 HB3 :: 3.89 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.54 Ave N Shift Values>> N :: 116.3(3.95) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 I 0.04 HN Overlap>> 1.Q13 1.Q13 C Shift Assignments>> C :: 174.27 CA :: 54.12 CB :: 36.66 CG :: 30.72 CE :: 16.90 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.34 HA :: 4.71 HB2 :: 1.83 HB3 :: 2.02 HG2 :: 2.29 HG3 :: 2.29 HE1 :: 2.05 HE2 :: 2.05 HE3 :: 2.05 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.16 Ave N Shift Values>> N :: 120.1(3.88) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.2 Y 0.08 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 174.64 CA :: 52.92 CB :: 38.67 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.55 HA :: 4.66 HB2 :: 2.63 HB3 :: 2.56 HD21 :: 7.56 HD22 :: 6.94 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.31 ND2 :: 113.19 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.47 C Shift Assignments>> CA :: 53.47 CB :: 33.35 CG :: 32.26 CE :: 17.56 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.72 HA :: 4.63 HB2 :: 1.92 HB3 :: 1.70 HG2 :: 2.50 HG3 :: 2.40 HE1 :: 1.87 HE2 :: 1.87 HE3 :: 1.87 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.86 Ave N Shift Values>> N :: 120.1(3.88) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.88 CA :: 62.13 CB :: 32.05 CG :: 27.36 CD :: 51.18 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.41 HB2 :: 2.12 HB3 :: 1.68 HG2 :: 2.00 HG3 :: 1.93 HD2 :: 3.99 HD3 :: 3.64 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.24 I 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.66 CA :: 55.86 CB :: 31.17 CG :: 37.01 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.52 HA :: 4.36 HB2 :: 1.97 HB3 :: 1.84 HG2 :: 2.48 HG3 :: 2.20 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.86 Ave N Shift Values>> N :: 120.68(3.68) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 172.08 CA :: 46.43 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.28 HA2 :: 3.95 HA3 :: 3.16 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.37 Ave N Shift Values>> N :: 109.91(4.29) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.3 G 0.03 M 0.03 C Shift Assignments>> C :: 174.93 CA :: 54.12 CB :: 35.51 CG :: 24.72 CD :: 29.23 CE :: 42.24 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.94 HA :: 4.44 HB2 :: 1.45 HB3 :: 1.48 HG2 :: 1.27 HG3 :: 1.14 HD2 :: 1.55 HD3 :: 1.55 HE2 :: 2.91 HE3 :: 2.91 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.24 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.06 CA :: 63.70 CB :: 31.72 CG1 :: 22.84 CG2 :: 22.67 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.62 HA :: 3.90 HB :: 1.83 HG11 :: 0.71 HG12 :: 0.71 HG13 :: 0.71 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.41 Ave N Shift Values>> N :: 121.02(4.96) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.4 C Shift Assignments>> C :: 174.41 CA :: 54.24 CB :: 36.06 CG :: 32.03 CE :: 18.41 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.30 HA :: 4.67 HB2 :: 1.83 HB3 :: 1.64 HG2 :: 2.37 HG3 :: 2.37 HE1 :: 1.88 HE2 :: 1.88 HE3 :: 1.88 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.87 Ave N Shift Values>> N :: 120.1(3.88) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.26 I 0.04 K 0.04 Q 0.02 C Shift Assignments>> C :: 177.24 CA :: 55.97 CB :: 31.17 CG :: 36.69 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.68 HA :: 4.86 HB2 :: 2.01 HB3 :: 1.87 HG2 :: 2.30 HG3 :: 2.18 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.09 Ave N Shift Values>> N :: 120.68(3.68) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.59 CA :: 61.08 CB :: 70.57 CG2 :: 21.98 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.96 HA :: 4.90 HB :: 4.79 HG21 :: 1.08 HG22 :: 1.08 HG23 :: 1.08 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.61 Ave N Shift Values>> N :: 115.7(5.05) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.13 G 0.11 L 0.01 HN Overlap>> 1.V20 1.V20 C Shift Assignments>> C :: 176.52 CA :: 58.62 CB :: 30.09 CG :: 27.21 CD :: 43.26 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.92 HA :: 4.05 HB2 :: 1.62 HB3 :: 1.77 HG2 :: 1.54 HG3 :: 1.54 HD2 :: 3.13 HD3 :: 3.13 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.39 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.33 L 0.1 F 0.08 Y 0.08 K 0.01 C Shift Assignments>> C :: 176.47 CA :: 53.15 CB :: 39.90 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.24 HA :: 4.60 HB2 :: 2.95 HB3 :: 2.57 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.22 Ave N Shift Values>> N :: 120.73(4.2) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.76 CA :: 46.22 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.61 HA2 :: 4.16 HA3 :: 3.82 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.59 Ave N Shift Values>> N :: 109.91(4.29) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.47 CA :: 59.99 CB :: 69.68 CG2 :: 20.73 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.69 HA :: 4.68 HB :: 4.07 HG1 :: 5.86 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.30 Ave N Shift Values>> N :: 115.7(5.05) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 K 0.14 G 0.02 M 0.01 C Shift Assignments>> C :: 174.93 CA :: 55.24 CB :: 37.68 CG :: 25.92 CD :: 30.07 CE :: 42.00 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.46 HA :: 5.43 HB2 :: 1.81 HB3 :: 1.66 HG2 :: 1.41 HG3 :: 1.28 HE2 :: 2.84 HE3 :: 2.84 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.62 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 G 0.41 A 0.03 C Shift Assignments>> C :: 173.41 CA :: 58.80 CB :: 43.33 CG1 :: 25.30 CG2 :: 17.16 CD1 :: 13.22 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.92 HA :: 5.69 HB :: 1.56 HG12 :: 1.10 HG13 :: 0.66 HG21 :: 0.47 HG22 :: 0.47 HG23 :: 0.47 HD11 :: 0.15 HD12 :: 0.15 HD13 :: 0.15 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.45 Ave N Shift Values>> N :: 121.6(4.72) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.03 C Shift Assignments>> C :: 171.39 CA :: 60.19 CB :: 42.09 CG1 :: 27.82 CG2 :: 15.85 CD1 :: 13.46 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.60 HA :: 4.11 HB :: 0.80 HG12 :: 0.90 HG13 :: 0.35 HG21 :: -0.12 HG22 :: -0.12 HG23 :: -0.12 HD11 :: -0.10 HD12 :: -0.10 HD13 :: -0.10 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.23 Ave N Shift Values>> N :: 121.6(4.72) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.4 C Shift Assignments>> C :: 175.07 CA :: 54.12 CB :: 35.52 CG :: 33.02 CE :: 18.57 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.99 HA :: 5.36 HB2 :: 2.08 HB3 :: 1.62 HG2 :: 2.46 HG3 :: 2.39 HE1 :: 1.93 HE2 :: 1.93 HE3 :: 1.93 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.87 Ave N Shift Values>> N :: 120.1(3.88) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.25 G 0.01 M 0.01 C Shift Assignments>> C :: 177.36 CA :: 56.03 CB :: 34.95 CG :: 24.80 CD :: 28.50 CE :: 42.14 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.72 HA :: 4.50 HB2 :: 1.55 HB3 :: 1.20 HG2 :: 1.09 HG3 :: 1.09 HD2 :: 1.67 HD3 :: 1.28 HE2 :: 2.87 HE3 :: 2.87 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.56 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 P 0.13 A 0.07 L 0.03 N 0.02 D 0.01 C Shift Assignments>> C :: 174.23 CA :: 47.77 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.87 HA2 :: 3.77 HA3 :: 3.85 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 120.93 Ave N Shift Values>> N :: 109.91(4.29) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 Y 0.14 D 0.13 F 0.09 E 0.07 M 0.02 L 0.02 I 0.01 C Shift Assignments>> C :: 173.06 CA :: 54.01 CB :: 37.90 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.13 HA :: 4.37 HB2 :: 2.86 HB3 :: 3.09 HD21 :: 7.51 HD22 :: 6.79 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.96 ND2 :: 112.69 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 E 0.21 Y 0.2 F 0.11 M 0.06 D 0.06 I 0.02 K 0.02 L 0.01 C Shift Assignments>> C :: 173.98 CA :: 55.14 CG :: 37.28 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.42 HA :: 4.45 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 2.19 HG3 :: 1.96 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.69 Ave N Shift Values>> N :: 120.68(3.68) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.54 CA :: 59.07 CB :: 38.67 CG1 :: 27.75 CG2 :: 17.61 CD1 :: 11.93 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.87 HA :: 4.54 HB :: 1.66 HG12 :: 1.23 HG13 :: 0.89 HG21 :: 0.51 HG22 :: 0.51 HG23 :: 0.51 HD11 :: 0.44 HD12 :: 0.44 HD13 :: 0.44 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.94 Ave N Shift Values>> N :: 121.6(4.72) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.21 K 0.21 F 0.11 Y 0.08 R 0.08 N 0.04 HN Overlap>> 1.F21 1.F21 C Shift Assignments>> C :: 174.05 CA :: 55.38 CB :: 41.58 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.10 HA :: 4.72 HB2 :: 2.74 HB3 :: 2.40 HD1 :: 6.92 HD2 :: 6.92 HE1 :: 6.97 HE2 :: 6.97 HZ :: 7.09 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.02 Ave N Shift Values>> N :: 120.69(4.18) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 R 0.3 K 0.14 C Shift Assignments>> C :: 175.72 CA :: 53.94 CB :: 34.43 CG :: 26.92 CD :: 43.81 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.42 HA :: 5.56 HB2 :: 1.83 HB3 :: 1.83 HG2 :: 1.76 HG3 :: 1.61 HD2 :: 3.29 HD3 :: 3.25 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.39 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.12 G 0.08 C Shift Assignments>> C :: 176.22 CA :: 56.32 CB :: 43.06 CG :: 26.44 CD1 :: 25.74 CD2 :: 24.00 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.35 HA :: 3.46 HB2 :: 1.67 HB3 :: 1.08 HG :: 1.22 HD11 :: 0.50 HD12 :: 0.50 HD13 :: 0.50 HD21 :: 0.30 HD22 :: 0.30 HD23 :: 0.30 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.33 Ave N Shift Values>> N :: 121.98(4.07) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.25 K 0.18 R 0.09 F 0.08 Y 0.06 N 0.05 C Shift Assignments>> C :: 176.48 CA :: 54.55 CB :: 41.77 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.63 HA :: 4.58 HB2 :: 2.71 HB3 :: 2.21 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.71 Ave N Shift Values>> N :: 120.73(4.2) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 K 0.13 M 0.12 I 0.11 Q 0.07 C Shift Assignments>> C :: 176.82 CA :: 57.40 CB :: 30.08 CG :: 36.23 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.64 HA :: 4.10 HB2 :: 2.04 HB3 :: 1.90 HG2 :: 2.24 HG3 :: 2.24 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.02 Ave N Shift Values>> N :: 120.68(3.68) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.31 C Shift Assignments>> C :: 178.10 CA :: 53.49 CB :: 18.96 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.51 HA :: 4.12 HB1 :: 1.30 HB2 :: 1.30 HB3 :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.71 Ave N Shift Values>> N :: 123.23(3.7) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.14 A 0.02 G 0.01 C Shift Assignments>> C :: 177.13 CA :: 54.89 CB :: 41.99 CG :: 27.30 CD1 :: 25.64 CD2 :: 23.62 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.83 HA :: 4.24 HB2 :: 1.63 HB3 :: 1.63 HG :: 1.53 HD11 :: 0.95 HD12 :: 0.95 HD13 :: 0.95 HD21 :: 0.81 HD22 :: 0.81 HD23 :: 0.81 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.46 Ave N Shift Values>> N :: 121.98(4.07) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.15 G 0.13 L 0.01 C Shift Assignments>> C :: 176.23 CA :: 56.25 CB :: 30.74 CG :: 27.04 CD :: 43.46 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.83 HA :: 4.24 HB2 :: 1.81 HB3 :: 1.71 HG2 :: 1.61 HG3 :: 1.53 HD2 :: 3.12 HD3 :: 3.12 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.93 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.28 M 0.05 G 0.01 C Shift Assignments>> C :: 177.14 CA :: 56.50 CB :: 33.01 CG :: 24.74 CD :: 29.06 CE :: 42.14 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.28 HA :: 4.25 HB2 :: 1.77 HB3 :: 1.71 HG2 :: 1.42 HG3 :: 1.37 HD2 :: 1.62 HD3 :: 1.62 HE2 :: 2.94 HE3 :: 2.94 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.78 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 173.89 CA :: 45.20 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.41 HA2 :: 3.87 HA3 :: 3.87 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.06 Ave N Shift Values>> N :: 109.91(4.29) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.19 K 0.16 R 0.15 E 0.15 M 0.06 L 0.02 I 0.01 C Shift Assignments>> C :: 174.67 CA :: 55.70 CB :: 29.51 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.29 HA :: 4.67 HB2 :: 3.22 HB3 :: 3.12 HD2 :: 7.15 HE1 :: 7.09 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.39 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.49 CA :: 58.36 CB :: 63.87 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.39 HA :: 4.42 HB2 :: 3.80 HB3 :: 3.80 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.69 Ave N Shift Values>> N :: 116.3(3.95) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.14 M 0.13 Q 0.08 I 0.08 C Shift Assignments>> C :: 176.84 CA :: 56.87 CB :: 30.04 CG :: 36.16 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.59 HA :: 4.28 HB2 :: 2.05 HB3 :: 1.90 HG2 :: 2.23 HG3 :: 2.23 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.01 Ave N Shift Values>> N :: 120.68(3.68) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 173.70 CA :: 45.32 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.38 HA2 :: 3.92 HA3 :: 3.92 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.29 Ave N Shift Values>> N :: 109.91(4.29) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.87 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.88 HA2 :: 3.70 HA3 :: 3.70 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.15 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 73 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 74 #Suspicious: 0 C Shift Results: #Consistent: 301 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 518 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 77 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K31 HG3 = 0.05(S), Expected = 1.37, Std = 0.2900, ChiSquare = 5.3208e-06