Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I41 1.I41 C Shift Assignments>> C :: 175.2 CA :: 64.2 CB :: 37.4 CG1 :: 28 CG2 :: 16.7 CD1 :: 14 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 :: 8.31 HA :: 3.74 HB :: 1.18 HG12 :: 0.94 HG13 :: 0.47 HG21 :: 0.4 HG22 :: 0.4 HG23 :: 0.4 HD11 :: 0.35 HD12 :: 0.35 HD13 :: 0.35 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 :: 124.9 Ave N Shift Values>> N :: 121.6(4.72) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.03 A 0.02 C Shift Assignments>> C :: 177.3 CA :: 56.3 CB :: 41.1 CG :: 26.7 CD1 :: 25.1 CD2 :: 22.9 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 :: 7.27 HA :: 3.68 HB2 :: 1.38 HB3 :: 1.5 HG :: 1.36 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.48 HD22 :: 0.48 HD23 :: 0.48 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 :: 116.1 Ave N Shift Values>> N :: 121.98(4.07) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.14 K 0.11 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.3 CA :: 55.2 CB :: 30 CG :: 36.7 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 :: 7.35 HA :: 4.29 HB2 :: 1.95 HB3 :: 2.27 HG2 :: 2.2 HG3 :: 2.14 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 :: 114.2 Ave N Shift Values>> N :: 120.68(3.68) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.23 L 0.16 F 0.07 K 0.06 Y 0.06 R 0.01 C Shift Assignments>> C :: 175.5 CA :: 53 CB :: 40.8 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 :: 7.86 HA :: 4.83 HB2 :: 3.24 HB3 :: 3.11 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 Ave N Shift Values>> N :: 120.73(4.2) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179 CA :: 65.7 CB :: 32.3 CG :: 27.7 CD :: 50.9 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 :: 4.24 HB2 :: 2.04 HB3 :: 2.42 HG2 :: 2.25 HG3 :: 2.13 HD2 :: 4.07 HD3 :: 3.86 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.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 E 0.31 K 0.02 C Shift Assignments>> C :: 178.1 CA :: 60 CB :: 29.2 CG :: 37.8 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 :: 9.25 HA :: 4.12 HB2 :: 1.85 HB3 :: 2.08 HG2 :: 2.35 HG3 :: 2.31 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 :: 117.6 Ave N Shift Values>> N :: 120.68(3.68) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 HN Overlap>> 1.Q26 1.Q26 C Shift Assignments>> C :: 178.6 CA :: 62.2 CB :: 40.4 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 130 CE2 :: 130 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 :: 7.64 HA :: 4.13 HB2 :: 2.98 HB3 :: 3.3 HD1 :: 7.11 HD2 :: 7.11 HE1 :: 6.78 HE2 :: 6.78 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 :: 118.2 Ave N Shift Values>> N :: 120.69(4.18) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.4 CA :: 66.8 CB :: 31.7 CG1 :: 22.6 CG2 :: 21.3 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 :: 8.22 HA :: 3.59 HB :: 2.11 HG11 :: 1.03 HG12 :: 1.03 HG13 :: 1.03 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 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 :: 120.3 Ave N Shift Values>> N :: 121.02(4.96) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.38 M 0.02 G 0.01 HN Overlap>> 1.I56 1.I56 C Shift Assignments>> C :: 179 CA :: 59.3 CB :: 32.6 CG :: 25.8 CD :: 29.5 CE :: 42.1 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 :: 7.76 HA :: 4.05 HB2 :: 2.02 HB3 :: 1.91 HG2 :: 1.67 HG3 :: 1.5 HD2 :: 1.75 HD3 :: 1.75 HE2 :: 2.97 HE3 :: 2.97 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 :: 119.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.13 G 0.01 C Shift Assignments>> C :: 178.4 CA :: 57.8 CB :: 41.9 CG :: 27.1 CD1 :: 25.4 CD2 :: 24.3 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 :: 7.75 HA :: 4.19 HB2 :: 1.72 HB3 :: 1.78 HG :: 1.73 HD11 :: 0.7 HD12 :: 0.7 HD13 :: 0.7 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 119.9 Ave N Shift Values>> N :: 121.98(4.07) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.27 K 0.05 C Shift Assignments>> C :: 178.6 CA :: 59 CB :: 30.2 CG :: 27.7 CD :: 44 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 :: 7.6 HA :: 3.94 HB2 :: 2 HB3 :: 2 HG2 :: 1.78 HG3 :: 1.78 HD2 :: 3.29 HD3 :: 3.29 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 :: 115.3 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.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.33 E 0.14 R 0.11 M 0.03 I 0.01 C Shift Assignments>> C :: 176.5 CA :: 57.1 CB :: 28.2 CG :: 33.9 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 :: 7.77 HA :: 4.13 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 2.34 HG3 :: 2.11 HE21 :: 7.3 HE22 :: 6.88 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 :: 116.4 NE2 :: 111.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 Y 0.36 C Shift Assignments>> C :: 175.2 CA :: 59.1 CB :: 38.8 CD1 :: 132.4 CD2 :: 132.4 CE1 :: 131.9 CE2 :: 131.9 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 :: 8.03 HA :: 4.22 HB2 :: 3 HB3 :: 3.12 HD1 :: 7.31 HD2 :: 7.31 HE1 :: 7.33 HE2 :: 7.33 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 :: 116.8 Ave N Shift Values>> N :: 120.69(4.18) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 Q 0.2 M 0.19 V 0.12 R 0.08 H 0.06 E 0.06 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> CA :: 58.4 CB :: 33.3 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 :: 7.47 HA :: 4.19 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 :: 122.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.3 CA :: 46.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.92 HA3 :: 4.21 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.31 M 0.03 G 0.02 C Shift Assignments>> C :: 175.8 CA :: 56.1 CB :: 33.7 CG :: 24.9 CD :: 29.1 CE :: 42.4 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 :: 8.23 HA :: 4.55 HB2 :: 1.68 HB3 :: 2.1 HG2 :: 1.37 HG3 :: 1.29 HD2 :: 1.66 HD3 :: 1.59 HE2 :: 2.98 HE3 :: 2.98 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 :: 118.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 A 0.1 I 0.03 C Shift Assignments>> CA :: 58.8 CB :: 34.3 CG1 :: 20.4 CG2 :: 17.9 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 :: 7.15 HA :: 4.4 HB :: 1.53 HG11 :: 0.03 HG12 :: 0.03 HG13 :: 0.03 HG21 :: 0.34 HG22 :: 0.34 HG23 :: 0.34 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 :: 111.1 Ave N Shift Values>> N :: 121.02(4.96) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.12 Y 0.08 F 0.05 E 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.6 CA :: 52.7 CB :: 37.9 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>> HA :: 4.66 HB2 :: 2.81 HB3 :: 3.05 HD21 :: 7.01 HD22 :: 7.83 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>> ND2 :: 112.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.3 CA :: 62.5 CB :: 40.4 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 131.7 CE2 :: 131.7 CZ :: 129.9 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 :: 8.58 HA :: 3.73 HB2 :: 3.21 HB3 :: 3 HD1 :: 7.08 HD2 :: 7.08 HE1 :: 7.46 HE2 :: 7.46 HZ :: 7.29 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 :: 128.2 Ave N Shift Values>> N :: 120.69(4.18) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.2 E 0.17 N 0.11 I 0.06 D 0.06 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 177.8 CA :: 56.4 CB :: 37.9 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 :: 8.22 HA :: 4.3 HB2 :: 2.77 HB3 :: 2.89 HD21 :: 7.65 HD22 :: 6.97 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 :: 114.6 ND2 :: 112 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 A 0.01 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 177.8 CA :: 56.9 CB :: 41.4 CG :: 27.1 CD1 :: 25 CD2 :: 23.2 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 :: 7.44 HA :: 4.19 HB2 :: 1.48 HB3 :: 1.68 HG :: 1.51 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 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 :: 122.5 Ave N Shift Values>> N :: 121.98(4.07) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.5 CA :: 67.2 CB :: 31 CG1 :: 21.3 CG2 :: 22.5 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 :: 7.93 HA :: 3.56 HB :: 1.83 HG11 :: 0.84 HG12 :: 0.84 HG13 :: 0.84 HG21 :: 1 HG22 :: 1 HG23 :: 1 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 :: 119.4 Ave N Shift Values>> N :: 121.02(4.96) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.91 I 0.08 C Shift Assignments>> C :: 176.8 CA :: 60 CB :: 32.9 CG :: 30.9 CE :: 16.9 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 :: 8.02 HA :: 3.64 HB2 :: 1.67 HB3 :: 2.03 HG2 :: 2.36 HG3 :: 2.36 HE1 :: 2.13 HE2 :: 2.13 HE3 :: 2.13 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 :: 116.6 Ave N Shift Values>> N :: 120.1(3.88) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.28 R 0.2 E 0.06 M 0.04 P 0.02 I 0.02 HN Overlap>> 1.F9 1.F9 C Shift Assignments>> C :: 177.8 CA :: 59.1 CB :: 28.1 CG :: 33 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 :: 7.53 HA :: 4.05 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.22 HG3 :: 2.52 HE21 :: 7.8 HE22 :: 6.74 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 :: 118.2 NE2 :: 110.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I69 1.I69 C Shift Assignments>> C :: 177.7 CA :: 65.9 CB :: 37.9 CG1 :: 30.3 CG2 :: 16.1 CD1 :: 13.1 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 :: 8.23 HA :: 3.35 HB :: 1.94 HG12 :: 0.04 HG13 :: 1.2 HG21 :: 0.9 HG22 :: 0.9 HG23 :: 0.9 HD11 :: 0.34 HD12 :: 0.34 HD13 :: 0.34 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 :: 120.7 Ave N Shift Values>> N :: 121.6(4.72) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 A 0.13 R 0.01 C Shift Assignments>> C :: 179.9 CA :: 58.4 CB :: 39.7 CG :: 26 CD1 :: 21.3 CD2 :: 25.9 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 :: 8.55 HA :: 4.02 HB2 :: 1.41 HB3 :: 1.83 HG :: 1.99 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 0.74 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 :: 118.9 Ave N Shift Values>> N :: 121.98(4.07) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 L 0.12 D 0.11 K 0.1 I 0.06 N 0.02 R 0.01 C Shift Assignments>> C :: 179.6 CA :: 57.4 CB :: 40.4 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 :: 8.47 HA :: 4.44 HB2 :: 2.65 HB3 :: 2.95 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 :: 120.7 Ave N Shift Values>> N :: 120.73(4.2) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 E 0.41 K 0.02 M 0.02 C Shift Assignments>> C :: 180.6 CA :: 60 CB :: 29.9 CG :: 37.4 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 :: 8.63 HA :: 3.98 HB2 :: 2.48 HB3 :: 2.08 HG2 :: 2.83 HG3 :: 2.83 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 :: 120.8 Ave N Shift Values>> N :: 120.68(3.68) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.4 CA :: 66.6 CB :: 37.8 CG1 :: 29.7 CG2 :: 17.1 CD1 :: 14.5 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 :: 8.52 HA :: 3.54 HB :: 2.05 HG12 :: 0.77 HG13 :: 2.09 HG21 :: 0.71 HG22 :: 0.71 HG23 :: 0.71 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 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 :: 123.1 Ave N Shift Values>> N :: 121.6(4.72) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 E 0.33 K 0.07 Q 0.02 C Shift Assignments>> C :: 178.4 CA :: 60.8 CB :: 28.8 CG :: 36.3 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 :: 8.07 HA :: 3.73 HB2 :: 1.89 HB3 :: 2.38 HG2 :: 2.14 HG3 :: 2.34 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 :: 120.3 Ave N Shift Values>> N :: 120.68(3.68) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.06 G 0.02 C Shift Assignments>> C :: 180.1 CA :: 58 CB :: 42.1 CG :: 27 CD1 :: 24.3 CD2 :: 24.3 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 :: 8.16 HA :: 3.98 HB2 :: 1.8 HB3 :: 1.71 HG :: 1.72 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 117.9 Ave N Shift Values>> N :: 121.98(4.07) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.18 K 0.17 F 0.13 Y 0.09 D 0.03 G 0.02 I 0.02 C Shift Assignments>> C :: 178.6 CA :: 58.2 CB :: 42.8 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 :: 8.2 HA :: 4.29 HB2 :: 2.52 HB3 :: 2.74 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 :: 120.5 Ave N Shift Values>> N :: 120.73(4.2) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.13 G 0.06 C Shift Assignments>> C :: 179 CA :: 56.4 CB :: 42.8 CG :: 26.5 CD1 :: 23.8 CD2 :: 25.7 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 :: 8.63 HA :: 4.36 HB2 :: 1.53 HB3 :: 1.95 HG :: 1.69 HD11 :: 0.69 HD12 :: 0.69 HD13 :: 0.69 HD21 :: 0.78 HD22 :: 0.78 HD23 :: 0.78 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 :: 121.3 Ave N Shift Values>> N :: 121.98(4.07) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.22 K 0.06 L 0.01 C Shift Assignments>> C :: 177.8 CA :: 59 CB :: 30 CG :: 27.6 CD :: 43.8 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 :: 7.41 HA :: 4.05 HB2 :: 1.94 HB3 :: 1.94 HG2 :: 1.78 HG3 :: 1.78 HD2 :: 3.17 HD3 :: 3.17 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 :: 117 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.G37 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 :: 174.8 CA :: 45.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.58 HA2 :: 3.83 HA3 :: 4.28 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.6 Ave N Shift Values>> N :: 109.91(4.29) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1 CA :: 58.7 CB :: 63.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.38 HA :: 4.33 HB2 :: 3.77 HB3 :: 3.77 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 :: 117.8 Ave N Shift Values>> N :: 116.3(3.95) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.2 F 0.11 Y 0.09 R 0.07 N 0.04 HN Overlap>> 1.N83 1.N83 C Shift Assignments>> C :: 175.3 CA :: 55.4 CB :: 41.5 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 :: 8.52 HA :: 4.47 HB2 :: 2.55 HB3 :: 3.02 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 :: 120.5 Ave N Shift Values>> N :: 120.73(4.2) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.3 Y 0.07 F 0.07 L 0.07 C Shift Assignments>> C :: 174.6 CA :: 52.9 CB :: 39.5 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 :: 8.23 HA :: 4.8 HB2 :: 2.59 HB3 :: 2.87 HD21 :: 7.68 HD22 :: 6.92 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 :: 116.1 ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I3 1.I3 C Shift Assignments>> C :: 175 CA :: 62.5 CB :: 37.6 CG1 :: 29.5 CG2 :: 18.7 CD1 :: 14.8 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 :: 8.34 HA :: 3.84 HB :: 1.03 HG12 :: 1.11 HG13 :: 0.92 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 HD11 :: 0.36 HD12 :: 0.36 HD13 :: 0.36 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 :: 124.8 Ave N Shift Values>> N :: 121.6(4.72) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.29 M 0.01 G 0.01 C Shift Assignments>> C :: 178.3 CA :: 60.2 CB :: 31.8 CG :: 25.4 CD :: 29.2 CE :: 41.9 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 :: 7.79 HA :: 3.78 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 1.43 HG3 :: 1.33 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 2.96 HE3 :: 2.96 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 :: 122.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.1 CA :: 65.9 CB :: 68.4 CG2 :: 22.3 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 :: 7.5 HA :: 3.79 HB :: 4.18 HG21 :: 1.2 HG22 :: 1.2 HG23 :: 1.2 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 :: 112.9 Ave N Shift Values>> N :: 115.7(5.05) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 175.1 CA :: 63.6 CB :: 63.9 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.86 HA :: 4.57 HB2 :: 3.74 HB3 :: 3.97 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 :: 119.7 Ave N Shift Values>> N :: 116.3(3.95) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.5 CA :: 66.2 CB :: 37.8 CG1 :: 29.4 CG2 :: 15.6 CD1 :: 15.4 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 :: 8.24 HA :: 3.14 HB :: 1.52 HG12 :: 0.54 HG13 :: 1.74 HG21 :: 0 HG22 :: 0 HG23 :: 0 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 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 :: 121.3 Ave N Shift Values>> N :: 121.6(4.72) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.9 CA :: 65.3 CB :: 37.8 CG1 :: 29.4 CG2 :: 17.2 CD1 :: 13.1 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 :: 7.68 HA :: 3.48 HB :: 1.83 HG12 :: 1.1 HG13 :: 1.66 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 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 :: 117.1 Ave N Shift Values>> N :: 121.6(4.72) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.7 CA :: 61.3 CB :: 38.4 CD1 :: 133.1 CD2 :: 133.1 CE1 :: 118.1 CE2 :: 118.1 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 :: 8.4 HA :: 4.19 HB2 :: 3.26 HB3 :: 3 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 6.75 HE2 :: 6.75 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 :: 120.9 Ave N Shift Values>> N :: 120.79(4.69) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.6 CA :: 67 CB :: 31.7 CG1 :: 22.7 CG2 :: 22.7 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 :: 8.48 HA :: 3.56 HB :: 2.04 HG11 :: 1.35 HG12 :: 1.35 HG13 :: 1.35 HG21 :: 1.12 HG22 :: 1.12 HG23 :: 1.12 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 :: 121.6 Ave N Shift Values>> N :: 121.02(4.96) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.82 H 0.17 C Shift Assignments>> C :: 179.3 CA :: 59.9 CB :: 35.3 CD1 :: 130.3 CD2 :: 130.3 CE1 :: 117.6 CE2 :: 117.6 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 :: 9.63 HA :: 4.08 HB2 :: 2.8 HB3 :: 3.43 HD1 :: 6.76 HD2 :: 6.76 HE1 :: 6.54 HE2 :: 6.54 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 :: 122 Ave N Shift Values>> N :: 120.79(4.69) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7 CA :: 62 CB :: 62.9 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.12 HA :: 4.13 HB2 :: 4.01 HB3 :: 4.01 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 :: 112.6 Ave N Shift Values>> N :: 116.3(3.95) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q84 1.Q84 C Shift Assignments>> C :: 173.6 CA :: 59.5 CB :: 63.3 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.51 HA :: 4.35 HB2 :: 3.58 HB3 :: 3.85 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 :: 116.8 Ave N Shift Values>> N :: 116.3(3.95) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 175.2 CA :: 54.1 CB :: 29.5 CD2 :: 121.7 CE1 :: 136.1 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 :: 7.59 HA :: 4.89 HB2 :: 2.46 HB3 :: 3.3 HD2 :: 7.41 HE1 :: 8.18 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 :: 120.5 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.05 G 0.03 C Shift Assignments>> C :: 177.9 CA :: 59.1 CB :: 42.3 CG :: 26.7 CD1 :: 24.3 CD2 :: 24.3 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 :: 7.44 HA :: 3.87 HB2 :: 1.55 HB3 :: 1.73 HG :: 1.68 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 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 :: 121.4 Ave N Shift Values>> N :: 121.98(4.07) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 L 0.1 D 0.1 I 0.08 K 0.08 N 0.02 C Shift Assignments>> C :: 177.9 CA :: 57.6 CB :: 40.2 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 :: 8.4 HA :: 4.29 HB2 :: 2.61 HB3 :: 2.61 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 :: 115.9 Ave N Shift Values>> N :: 120.73(4.2) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.29 E 0.23 M 0.05 R 0.04 I 0.03 C Shift Assignments>> C :: 178.3 CA :: 57.8 CB :: 29.1 CG :: 34.3 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 :: 7.5 HA :: 4.31 HB2 :: 1.82 HB3 :: 2.05 HG2 :: 2.25 HG3 :: 2.1 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 :: 120.1 Ave N Shift Values>> N :: 120.68(3.68) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 178.6 CA :: 62.5 CB :: 36.2 CG1 :: 28.1 CG2 :: 17.9 CD1 :: 9.8 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 :: 7.72 HA :: 3.44 HB :: 1.64 HG12 :: 0.86 HG13 :: 0.6 HG21 :: 0.42 HG22 :: 0.42 HG23 :: 0.42 HD11 :: 0 HD12 :: 0 HD13 :: 0 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 :: 119.6 Ave N Shift Values>> N :: 121.6(4.72) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.19 K 0.08 C Shift Assignments>> C :: 178.8 CA :: 59 CB :: 30.1 CG :: 27.7 CD :: 43.7 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 :: 8.2 HA :: 3.93 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.71 HG3 :: 1.71 HD2 :: 3.17 HD3 :: 3.17 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 :: 115.5 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.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 M 0.03 G 0.01 C Shift Assignments>> C :: 176.8 CA :: 58.1 CB :: 33.1 CG :: 25.3 CD :: 29.4 CE :: 42.1 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 :: 7.4 HA :: 4.21 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 1.49 HG3 :: 1.49 HD2 :: 1.75 HD3 :: 1.75 HE2 :: 3.02 HE3 :: 3.02 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 :: 117.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.36 L 0.1 F 0.05 Y 0.05 K 0.02 HN Overlap>> 1.F62 1.F62 C Shift Assignments>> C :: 174.9 CA :: 52.1 CB :: 40.2 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 :: 7.63 HA :: 5.31 HB2 :: 2.77 HB3 :: 2.92 HD21 :: 7.79 HD22 :: 6.77 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 :: 119.2 ND2 :: 115.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.2 G 0.04 M 0.01 C Shift Assignments>> C :: 177.9 CA :: 61.1 CB :: 33.3 CG :: 24.6 CD :: 29.3 CE :: 42.3 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 :: 7.46 HA :: 4.07 HB2 :: 1.98 HB3 :: 1.84 HG2 :: 1.44 HG3 :: 1.44 HD2 :: 1.58 HD3 :: 1.71 HE2 :: 2.98 HE3 :: 2.98 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 :: 122.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 E 0.39 K 0.05 M 0.01 C Shift Assignments>> C :: 178.9 CA :: 60.1 CB :: 29.1 CG :: 36.9 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 :: 8.66 HA :: 4.08 HB2 :: 2.21 HB3 :: 2.1 HG2 :: 2.43 HG3 :: 2.43 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 :: 117.3 Ave N Shift Values>> N :: 120.68(3.68) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.N59 1.N59 C Shift Assignments>> C :: 176.2 CA :: 60.9 CB :: 38.3 CD1 :: 131.5 CD2 :: 131.5 CE1 :: 130.9 CE2 :: 130.9 CZ :: 128.1 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 :: 7.67 HA :: 3.42 HB2 :: 1.92 HB3 :: 2.42 HD1 :: 5.68 HD2 :: 5.68 HE1 :: 6.68 HE2 :: 6.68 HZ :: 6.71 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 :: 119.3 Ave N Shift Values>> N :: 120.69(4.18) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 180.2 CA :: 63.5 CB :: 37.1 CD1 :: 133.3 CD2 :: 133.3 CE1 :: 117.5 CE2 :: 117.5 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 :: 7.85 HA :: 3.87 HB2 :: 2.82 HB3 :: 2.48 HD1 :: 7.12 HD2 :: 7.12 HE1 :: 6.58 HE2 :: 6.58 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 :: 116.5 Ave N Shift Values>> N :: 120.79(4.69) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.31 I 0.09 D 0.09 L 0.08 K 0.04 N 0.02 E 0.01 C Shift Assignments>> C :: 178.7 CA :: 57.6 CB :: 39.8 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 :: 9.11 HA :: 4.65 HB2 :: 2.65 HB3 :: 2.92 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 :: 126.1 Ave N Shift Values>> N :: 120.73(4.2) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.02 A 0.01 C Shift Assignments>> C :: 178.8 CA :: 59.3 CB :: 32.8 CG :: 31.9 CE :: 17.5 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 :: 7.6 HA :: 4.14 HB2 :: 1.85 HB3 :: 2.19 HG2 :: 2.72 HG3 :: 2.49 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 :: 121.1 Ave N Shift Values>> N :: 120.1(3.88) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177 CA :: 64.5 CB :: 36.7 CG1 :: 27.7 CG2 :: 18 CD1 :: 12.9 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 :: 7.91 HA :: 3.43 HB :: 1.81 HG12 :: 0.9 HG13 :: 0.57 HG21 :: 0.66 HG22 :: 0.66 HG23 :: 0.66 HD11 :: 0.31 HD12 :: 0.31 HD13 :: 0.31 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 :: 116.9 Ave N Shift Values>> N :: 121.6(4.72) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.29 I 0.06 C Shift Assignments>> C :: 180.2 CA :: 55.6 CB :: 18 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.66 HA :: 3.94 HB1 :: 1.56 HB2 :: 1.56 HB3 :: 1.56 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 123.23(3.7) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.2 K 0.16 Q 0.1 M 0.05 C Shift Assignments>> C :: 179 CA :: 59.3 CB :: 29.5 CG :: 35.7 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 :: 7.66 HA :: 4.04 HB2 :: 2.16 HB3 :: 2.09 HG2 :: 2.28 HG3 :: 2.32 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 :: 118.7 Ave N Shift Values>> N :: 120.68(3.68) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> C :: 178.2 CA :: 65.7 CB :: 38.1 CG1 :: 30.1 CG2 :: 18.5 CD1 :: 13.6 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 :: 8.24 HA :: 3.63 HB :: 1.86 HG12 :: 0.79 HG13 :: 1.71 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 HD11 :: 0.39 HD12 :: 0.39 HD13 :: 0.39 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 :: 120.7 Ave N Shift Values>> N :: 121.6(4.72) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.23 G 0.1 C Shift Assignments>> C :: 179.3 CA :: 59.1 CB :: 43 CG :: 27 CD1 :: 26.1 CD2 :: 23.8 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 :: 8.77 HA :: 3.96 HB2 :: 1.14 HB3 :: 1.96 HG :: 1.77 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 119.1 Ave N Shift Values>> N :: 121.98(4.07) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.29 K 0.08 M 0.05 Q 0.04 C Shift Assignments>> C :: 177.7 CA :: 59.8 CB :: 30 CG :: 36.2 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 :: 7.66 HA :: 3.96 HB2 :: 2.11 HB3 :: 2.18 HG2 :: 2.06 HG3 :: 2.49 HE21 :: 6.89 HE22 :: 6.67 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 :: 114.2 NE2 :: 109 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.18 K 0.12 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> C :: 178.9 CA :: 58.9 CB :: 31.1 CG :: 27.4 CD :: 43.7 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 :: 8.18 HA :: 4 HB2 :: 1.36 HB3 :: 1.78 HG2 :: 1.47 HG3 :: 0.85 HD2 :: 2.95 HD3 :: 3.09 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 :: 118.3 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.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178 CA :: 60.1 CB :: 41.2 CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118 CE2 :: 118 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 :: 7.97 HA :: 4.8 HB2 :: 2.76 HB3 :: 3.16 HD1 :: 7.34 HD2 :: 7.34 HE1 :: 6.83 HE2 :: 6.83 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 :: 111.5 Ave N Shift Values>> N :: 120.79(4.69) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 H 0.02 C Shift Assignments>> C :: 176.6 CA :: 62.4 CB :: 36.1 CD1 :: 133.6 CD2 :: 133.6 CE1 :: 118.5 CE2 :: 118.5 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 :: 8.75 HA :: 4.08 HB2 :: 2.9 HB3 :: 3.57 HD1 :: 7.29 HD2 :: 7.29 HE1 :: 6.93 HE2 :: 6.93 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 :: 121.5 Ave N Shift Values>> N :: 120.79(4.69) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.37 M 0.04 G 0.01 C Shift Assignments>> C :: 177.5 CA :: 57.6 CB :: 31.8 CG :: 24.8 CD :: 28.9 CE :: 42 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 :: 7.76 HA :: 3.71 HB2 :: 1.3 HB3 :: 1.55 HG2 :: 0.88 HG3 :: 0.88 HD2 :: 1.5 HD3 :: 1.5 HE2 :: 2.97 HE3 :: 2.97 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 :: 120.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 M 0.02 G 0.01 C Shift Assignments>> C :: 177.9 CA :: 58.3 CB :: 33.7 CG :: 25.2 CD :: 29.3 CE :: 42.2 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 :: 7.51 HA :: 4.23 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 1.58 HG3 :: 1.58 HD2 :: 1.75 HD3 :: 1.75 HE2 :: 3.01 HE3 :: 3.01 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 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176 CA :: 60.6 CB :: 39.7 CG1 :: 26.3 CG2 :: 17.8 CD1 :: 13.2 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 :: 7.61 HA :: 4.67 HB :: 2.18 HG12 :: 1.56 HG13 :: 1.21 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 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 :: 108.2 Ave N Shift Values>> N :: 121.6(4.72) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 175.8 CA :: 44.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.39 HA2 :: 4.73 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.2 Ave N Shift Values>> N :: 109.91(4.29) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.7 CA :: 62.9 CB :: 38.6 CG1 :: 29.7 CG2 :: 18.6 CD1 :: 15 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 :: 9.03 HA :: 4.08 HB :: 1.94 HG12 :: 1.41 HG13 :: 1.29 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 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 :: 125.7 Ave N Shift Values>> N :: 121.6(4.72) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 E 0.37 K 0.11 Q 0.04 C Shift Assignments>> C :: 179.2 CA :: 59.7 CB :: 28.1 CG :: 36.2 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 :: 9.48 HA :: 4.07 HB2 :: 2.08 HB3 :: 2.02 HG2 :: 2.34 HG3 :: 2.34 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 :: 122.4 Ave N Shift Values>> N :: 120.68(3.68) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.22 F 0.16 E 0.14 D 0.09 I 0.04 M 0.03 L 0.02 K 0.01 HN Overlap>> 1.Q84 1.Q84 C Shift Assignments>> C :: 177.6 CA :: 55.6 CB :: 37.9 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 :: 7.57 HA :: 4.58 HB2 :: 2.58 HB3 :: 2.82 HD21 :: 7.95 HD22 :: 7.04 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 ND2 :: 113.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.9 CA :: 66.8 CB :: 31.1 CG1 :: 23 CG2 :: 24.2 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 :: 8.18 HA :: 3.59 HB :: 2.11 HG11 :: 1.12 HG12 :: 1.12 HG13 :: 1.12 HG21 :: 1.01 HG22 :: 1.01 HG23 :: 1.01 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 :: 120.9 Ave N Shift Values>> N :: 121.02(4.96) 1.N83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> E 0.3 Y 0.22 N 0.12 F 0.11 M 0.08 I 0.04 K 0.03 D 0.03 HN Overlap>> 1.D39 1.D39 C Shift Assignments>> C :: 177.7 CA :: 56 CB :: 37 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 :: 8.44 HA :: 4.44 HB2 :: 2.51 HB3 :: 2.94 HD21 :: 7.59 HD22 :: 7.59 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 :: 120.5 ND2 :: 102.6(A) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.15 R 0.1 I 0.04 M 0.02 HN Overlap>> 1.N81 1.N81 1.S51 1.S51 C Shift Assignments>> C :: 179 CA :: 58.9 CB :: 28.3 CG :: 33.9 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 :: 7.55 HA :: 4.05 HB2 :: 2.22 HB3 :: 2.22 HG2 :: 2.5 HG3 :: 2.5 HE21 :: 7.54 HE22 :: 6.8 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 :: 116.9 NE2 :: 112.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 G 0.01 C Shift Assignments>> C :: 180.4 CA :: 58.2 CB :: 41.7 CG :: 26.6 CD1 :: 25.4 CD2 :: 22.8 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 :: 7.99 HA :: 4.08 HB2 :: 1.3 HB3 :: 1.94 HG :: 1.5 HD11 :: 0.55 HD12 :: 0.55 HD13 :: 0.55 HD21 :: 0.64 HD22 :: 0.64 HD23 :: 0.64 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 :: 121.3 Ave N Shift Values>> N :: 121.98(4.07) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.7 CA :: 66.6 CB :: 37.8 CG1 :: 29.5 CG2 :: 17.1 CD1 :: 14.5 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 :: 8.63 HA :: 3.56 HB :: 2.06 HG12 :: 2.06 HG13 :: 0.75 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 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 :: 122 Ave N Shift Values>> N :: 121.6(4.72) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.05 A 0.02 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 179 CA :: 58.2 CB :: 40.8 CG :: 26.3 CD1 :: 22.2 CD2 :: 25.8 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 :: 8.2 HA :: 4.01 HB2 :: 1.6 HB3 :: 1.97 HG :: 1.78 HD11 :: 0.4 HD12 :: 0.4 HD13 :: 0.4 HD21 :: 0.83 HD22 :: 0.83 HD23 :: 0.83 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 :: 118.3 Ave N Shift Values>> N :: 121.98(4.07) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.3 CA :: 66.5 CB :: 69.4 CG2 :: 21.6 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 :: 8.42 HA :: 4 HB :: 4.31 HG21 :: 1.33 HG22 :: 1.33 HG23 :: 1.33 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 :: 112.7 Ave N Shift Values>> N :: 115.7(5.05) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.5 CA :: 67.1 CB :: 68.5 CG2 :: 22.1 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 :: 4.04 HB :: 4.41 HG21 :: 1.22 HG22 :: 1.22 HG23 :: 1.22 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 :: 116.6 Ave N Shift Values>> N :: 115.7(5.05) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.7 CA :: 62 CB :: 38.5 CG1 :: 26.3 CG2 :: 18.6 CD1 :: 15.3 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 :: 8.33 HA :: 4.42 HB :: 2.26 HG12 :: 1.68 HG13 :: 1.68 HG21 :: 1 HG22 :: 1 HG23 :: 1 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 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 :: 125.3 Ave N Shift Values>> N :: 121.6(4.72) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.24 M 0.07 G 0.01 C Shift Assignments>> CA :: 57.2 CB :: 32.9 CG :: 24.4 CD :: 29.3 CE :: 41.9 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 :: 7.45 HA :: 3.97 HB2 :: 1.77 HB3 :: 1.77 HG2 :: 1.18 HG3 :: 1.18 HD2 :: 1.4 HD3 :: 1.4 HE2 :: 2.68 HE3 :: 2.68 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 :: 123.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 98 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 433 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 703 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.N83 ND2 = 102.6(A), Expected = 112.83, Std = 2.6000, ChiSquare = 8.3330e-05