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.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.43 CA :: 61.95 CB :: 68.66 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.96 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.17 Ave N Shift Values>> N :: 115.42(4.75) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.26 L 0.16 C 0.05 F 0.04 K 0.03 Y 0.03 C Shift Assignments>> CA :: 51.94 CB :: 40.97 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.64 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.2 Ave N Shift Values>> N :: 121.86(3.9) 1.P10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.02 C 0.01 HN Overlap>> 1.A38 1.A38 C Shift Assignments>> C :: 180.92 CA :: 54.52 CB :: 17.55 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.98 Ave N Shift Values>> N :: 123.23(3.54) 1.S12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.29 Y 0.09 V 0.06 F 0.05 E 0.04 C Shift Assignments>> C :: 175.35 CA :: 62.09 CB :: 36.6 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.85 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 113.1 Ave N Shift Values>> N :: 121.46(4.28) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 E 0.22 Y 0.19 F 0.12 I 0.1 M 0.04 K 0.01 N 0.01 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 174.17 CA :: 58.14 CB :: 37.07 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.54 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.99 Ave N Shift Values>> N :: 120.45(4.18) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 H 0.14 Q 0.14 C 0.11 R 0.1 K 0.08 I 0.04 M 0.02 V 0.01 P 0.01 HN Overlap>> 1.A194 1.A194 C Shift Assignments>> C :: 175.83 CB :: 29.69 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.86 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.7 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.26 I 0.05 C 0.02 HN Overlap>> 1.V51 1.V51 1.E193 1.E193 C Shift Assignments>> C :: 178.35 CA :: 55.54 CB :: 17.65 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.81 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.58 Ave N Shift Values>> N :: 123.23(3.54) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.16 D 0.15 F 0.15 C 0.13 L 0.06 I 0.01 E 0.01 M 0.01 HN Overlap>> 1.G299 1.G299 C Shift Assignments>> CA :: 55.01 CB :: 38.77 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.25 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 110.32 Ave N Shift Values>> N :: 120.52(4.2) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.19 N 0.19 K 0.06 F 0.05 C 0.05 Y 0.03 R 0.01 HN Overlap>> 1.D456 1.D456 C Shift Assignments>> C :: 172.89 CA :: 52.43 CB :: 41.22 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.71 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.55 Ave N Shift Values>> N :: 120.65(3.86) 1.I19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.27 I 0.14 C 0.13 L 0.05 K 0.04 D 0.03 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 175.9(D) CA :: 59.06(D) CB :: 40.4(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.87(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.65(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.17 Q 0.17 C 0.16 R 0.08 H 0.08 W 0.04 E 0.02 C Shift Assignments>> C :: 174.4 CA :: 55.1 CB :: 33.14 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.81 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.45(D) CA :: 44.78(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.47(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.29(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 C 0.23 P 0.18 W 0.07 K 0.04 R 0.03 E 0.02 H 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 177.35(D) CA :: 61.49(D) CB :: 32.05(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.3(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.78(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 C 0.22 V 0.16 P 0.12 W 0.06 E 0.01 R 0.01 C Shift Assignments>> C :: 177.51(D) CA :: 63.5(D) CB :: 29.52(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.29(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 134.14(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.5 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 HN Overlap>> 1.S365 1.S365 C Shift Assignments>> C :: 172.61(D) CA :: 44.48(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.35(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.5(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 N 0.08 F 0.08 Y 0.05 C 0.05 R 0.02 HN Overlap>> 1.A133 1.E434 1.A133 1.E434 C Shift Assignments>> C :: 174.51 CA :: 54.05 CB :: 41.49 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.79 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.72 Ave N Shift Values>> N :: 120.65(3.86) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.52 CA :: 60.73 CB :: 69.5 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.41 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.8 Ave N Shift Values>> N :: 115.42(4.75) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.23 D 0.17 G 0.09 C 0.04 K 0.03 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 173.97(D) CA :: 53.39(D) CB :: 43.36(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.63(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.42(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.67(D) CA :: 58.57(D) CB :: 72.13(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.05(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.9(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.21 I 0.05 C 0.01 HN Overlap>> 1.Y203 1.Y203 C Shift Assignments>> C :: 178.77 CA :: 55.51 CB :: 17.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.96 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 123.23(3.54) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.13 E 0.11 Q 0.1 I 0.1 H 0.09 R 0.07 M 0.01 HN Overlap>> 1.F210 1.F210 C Shift Assignments>> C :: 178.39 CA :: 59.03 CB :: 28.85 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.11 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.46 Ave N Shift Values>> N :: 120.67(3.48) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N222 1.N222 C Shift Assignments>> C :: 176.22 CA :: 66.77 CB :: 67.73 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.76 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.35 Ave N Shift Values>> N :: 115.42(4.75) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 HN Overlap>> 1.E193 1.E193 C Shift Assignments>> C :: 177.92 CA :: 55.11 CB :: 18.13 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.95 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.59 Ave N Shift Values>> N :: 123.23(3.54) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 I 0.3 Y 0.12 E 0.1 F 0.07 V 0.04 M 0.01 K 0.01 C Shift Assignments>> C :: 177.39 CA :: 60.98 CB :: 36.54 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.57 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.01 Ave N Shift Values>> N :: 120.52(4.2) 1.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 C 0.19 W 0.14 K 0.1 E 0.08 Q 0.08 R 0.07 H 0.06 L 0.01 P 0.01 HN Overlap>> 1.L263 1.L263 C Shift Assignments>> C :: 178.74 CA :: 59.78 CB :: 28.35 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.65 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.74 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 C 0.25 I 0.23 P 0.01 Y 0.01 C Shift Assignments>> C :: 178.06 CA :: 64.6 CB :: 35.29 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.54 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.44 Ave N Shift Values>> N :: 121.46(4.28) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 P 0.14 C 0.1 A 0.08 L 0.03 N 0.02 C Shift Assignments>> C :: 174.8 CA :: 47.9 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.18 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.06 Ave N Shift Values>> N :: 109.67(3.87) 1.R37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 Q 0.15 C 0.15 H 0.1 W 0.09 K 0.07 E 0.06 R 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 179.65(D) CA :: 55.8(D) CB :: 27.26(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.03(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.39(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.31 I 0.04 C 0.02 HN Overlap>> 1.A11 1.A11 C Shift Assignments>> C :: 178.59 CA :: 55.38 CB :: 17.87 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.93 Ave N Shift Values>> N :: 123.23(3.54) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.16 Y 0.02 V 0.02 F 0.02 HN Overlap>> 1.Q190 1.Q190 C Shift Assignments>> C :: 178.03 CA :: 65.24 CB :: 37.71 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.8 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119 Ave N Shift Values>> N :: 121.46(4.28) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.65 A 0.14 N 0.06 G 0.05 C 0.03 D 0.01 C Shift Assignments>> C :: 175.13 CA :: 48.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.79 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8 Ave N Shift Values>> N :: 109.67(3.87) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.24 I 0.19 P 0.14 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 C Shift Assignments>> CA :: 62.41 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.68 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.86 Ave N Shift Values>> N :: 116.28(3.52) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 K 0.13 Q 0.13 W 0.12 R 0.11 E 0.1 H 0.09 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 177 CA :: 57.87 CB :: 28.23 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.03 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.87 Ave N Shift Values>> N :: 120.67(3.48) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N253 1.N253 C Shift Assignments>> C :: 174.74 CA :: 62.61 CB :: 63.36 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.61 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.65 Ave N Shift Values>> N :: 116.28(3.52) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.11 L 0.1 D 0.08 I 0.07 K 0.06 N 0.01 HN Overlap>> 1.V147 1.I388 1.L452 1.V147 1.I388 1.L452 C Shift Assignments>> C :: 181.37 CA :: 57.91 CB :: 40.53 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.38 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.76 Ave N Shift Values>> N :: 121.86(3.9) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.37 I 0.01 C 0.01 C Shift Assignments>> C :: 179.26 CA :: 54.3 CB :: 16.96 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.85 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.04 Ave N Shift Values>> N :: 123.23(3.54) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.15 K 0.15 C 0.12 W 0.11 R 0.1 E 0.09 L 0.04 M 0.03 HN Overlap>> 1.C75 1.C75 C Shift Assignments>> C :: 176.07 CA :: 54.51 CB :: 28.85 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.31 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.48 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.34 CA :: 45.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.85 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.63 Ave N Shift Values>> N :: 109.67(3.87) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 C 0.15 H 0.11 R 0.08 M 0.07 W 0.07 Q 0.05 K 0.02 E 0.02 HN Overlap>> 1.M315 1.M315 C Shift Assignments>> C :: 173.24 CA :: 51.34 CB :: 30.37 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.33 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 120.67(3.48) 1.P49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 C 0.17 I 0.12 W 0.1 Q 0.1 L 0.08 K 0.07 E 0.06 H 0.06 C Shift Assignments>> C :: 173.15(D) CA :: 58.54(D) CB :: 27.42(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.9(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.36(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 E 0.22 M 0.07 K 0.07 I 0.07 Y 0.07 V 0.05 Q 0.05 F 0.03 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 174.41(D) CA :: 59.12(D) CB :: 35.49(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.58(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 M 0.02 C 0.01 C Shift Assignments>> C :: 176.36(D) CA :: 50.05(D) CB :: 19.37(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.77(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.15 E 0.11 I 0.1 K 0.05 Y 0.05 M 0.04 Q 0.04 F 0.02 W 0.01 HN Overlap>> 1.V230 1.V230 C Shift Assignments>> C :: 173.3(D) CA :: 60.47(D) CB :: 35.16(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.69(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.83(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.42 L 0.28 D 0.06 F 0.05 G 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 170.75 CA :: 43.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.44(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.19 Q 0.16 K 0.14 H 0.08 R 0.07 W 0.04 E 0.01 C Shift Assignments>> CA :: 53.33 CB :: 33.2 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.14 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.37 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.63 CA :: 45.54 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.39 Ave N Shift Values>> N :: 109.67(3.87) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 C 0.12 R 0.12 K 0.12 M 0.04 I 0.01 C Shift Assignments>> CA :: 57.13 CB :: 29.63 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.53 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.19 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.21 L 0.14 D 0.13 C 0.1 K 0.07 I 0.04 N 0.02 C Shift Assignments>> C :: 178.46(D) CA :: 57.1(D) CB :: 40.58(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.61(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.65(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.36 CB :: 63.56 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.13 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.41 Ave N Shift Values>> N :: 116.28(3.52) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.36 G 0.31 A 0.13 C 0.08 N 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 172.63 CA :: 48.24 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.46 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.08 Ave N Shift Values>> N :: 109.67(3.87) 1.P62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.14 K 0.14 E 0.13 Q 0.12 H 0.1 R 0.09 I 0.05 M 0.02 HN Overlap>> 1.I19 1.I19 C Shift Assignments>> C :: 179.11 CA :: 58.33(D) CB :: 29.09(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.79(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.7(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.2 L 0.16 Y 0.16 D 0.1 C 0.08 R 0.03 I 0.03 C Shift Assignments>> C :: 179.7 CA :: 57.37 CB :: 41.35 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.89 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.64 Ave N Shift Values>> N :: 121.86(3.9) 1.V65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 V 0.19 C 0.19 P 0.11 W 0.02 C Shift Assignments>> C :: 176.52(D) CA :: 65.05(D) CB :: 29.37(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.23(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.6(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.13 R 0.12 K 0.11 E 0.1 H 0.09 M 0.09 V 0.07 Q 0.04 HN Overlap>> 1.L310 1.L310 C Shift Assignments>> C :: 179.54(D) CA :: 58.85(D) CB :: 31.61(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.91(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.65(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 Q 0.15 W 0.12 H 0.12 E 0.12 C 0.12 R 0.09 M 0.02 I 0.02 L 0.02 C Shift Assignments>> C :: 177.57 CA :: 56.81 CB :: 28.82 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.77 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.24 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 K 0.1 Q 0.09 H 0.09 E 0.08 M 0.08 W 0.07 C 0.06 F 0.06 Y 0.06 L 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 176.9 CA :: 56.8 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.27 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.39 Ave N Shift Values>> N :: 121.86(3.9) 1.I69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.15 Q 0.11 L 0.1 W 0.1 I 0.08 K 0.07 H 0.07 E 0.07 HN Overlap>> 1.K312 1.K312 C Shift Assignments>> C :: 177.67 CA :: 57.96 CB :: 27.47 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.28 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.74(D) CA :: 46.84(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.49(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.35(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.17 L 0.15 R 0.12 Y 0.12 C 0.07 D 0.05 I 0.02 HN Overlap>> 1.F14 1.F14 C Shift Assignments>> C :: 180.72 CA :: 57.95 CB :: 42.13 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.54 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.01 Ave N Shift Values>> N :: 121.86(3.9) 1.V73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 P 0.18 C 0.13 I 0.12 C Shift Assignments>> C :: 180.26(D) CA :: 66.55(D) CB :: 30.62(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.69(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.18 N 0.18 D 0.16 C 0.13 L 0.07 I 0.02 E 0.01 C Shift Assignments>> C :: 177.69 CA :: 55.54 CB :: 39.07 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.65 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.33 Ave N Shift Values>> N :: 120.65(3.86) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.09 W 0.08 T 0.06 V 0.06 E 0.04 K 0.04 R 0.03 H 0.03 Q 0.02 M 0.02 L 0.01 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 174.24 CA :: 59.75 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.32 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.46 Ave N Shift Values>> N :: 120.17(4.64) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.29 D 0.07 K 0.07 F 0.06 Y 0.03 G 0.03 C 0.03 I 0.01 C Shift Assignments>> CA :: 43.01 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.07 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.42 Ave N Shift Values>> N :: 109.67(3.87) 1.C77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 C 0.21 W 0.11 R 0.07 K 0.05 E 0.05 P 0.05 Q 0.05 H 0.04 L 0.01 C Shift Assignments>> C :: 172.67 CA :: 60.53 CB :: 27.94 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.07 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.86 Ave N Shift Values>> N :: 120.17(4.64) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.16 R 0.15 Q 0.15 C 0.12 H 0.12 K 0.1 W 0.08 E 0.05 M 0.02 C Shift Assignments>> C :: 175.89 CA :: 54 CB :: 27.99 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.53 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.67 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 C 0.25 P 0.12 W 0.07 K 0.05 R 0.04 H 0.02 M 0.02 E 0.02 Q 0.01 C Shift Assignments>> C :: 176.67 CA :: 61.17 CB :: 32.35 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.28 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.74 Ave N Shift Values>> N :: 121.14(4.54) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.06 CA :: 57.05 CB :: 63.28 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.86 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 126.87 Ave N Shift Values>> N :: 116.28(3.52) 1.D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.32 L 0.13 F 0.06 C 0.05 Y 0.04 K 0.01 HN Overlap>> 1.L202 1.L202 C Shift Assignments>> C :: 177.28(D) CA :: 52.49(D) CB :: 40.43(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.11(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.43(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.13 R 0.1 H 0.09 K 0.08 Q 0.08 I 0.07 V 0.03 M 0.02 HN Overlap>> 1.R358 1.R358 C Shift Assignments>> C :: 176.13 CA :: 59.35 CB :: 29.79 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.08 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.18 Ave N Shift Values>> N :: 121.14(4.54) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.36 CA :: 45.58 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.59 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.96 Ave N Shift Values>> N :: 109.67(3.87) 1.M84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.16 K 0.14 H 0.12 R 0.12 Q 0.08 W 0.06 E 0.03 C Shift Assignments>> C :: 174.62(D) CA :: 53.83(D) CB :: 32.39(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.23(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.37(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Q 0.19 M 0.18 K 0.15 E 0.1 H 0.02 R 0.02 V 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 171.1 CA :: 56.85 CB :: 34.57 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.45 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.05 Ave N Shift Values>> N :: 121.14(4.54) 1.P86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 S 0.21 C Shift Assignments>> C :: 170.15 CA :: 66.56 CB :: 65.17 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.65 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.83 Ave N Shift Values>> N :: 115.42(4.75) 1.P88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 P 0.19 C 0.17 V 0.1 W 0.03 C Shift Assignments>> CA :: 64.25(D) CB :: 29.04 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.05(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 Y 0.19 F 0.18 D 0.16 C 0.13 L 0.07 I 0.02 E 0.01 C Shift Assignments>> C :: 180(D) CA :: 55.48(D) CB :: 39.01(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.99(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.02(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 E 0.09 R 0.09 W 0.08 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.07 L 0.05 S 0.04 D 0.02 C Shift Assignments>> C :: 178.98 CA :: 57.09 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.76 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.16 Ave N Shift Values>> N :: 120.52(4.2) 1.Y92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 C 0.22 Y 0.15 F 0.11 E 0.02 V 0.01 C Shift Assignments>> C :: 177.49 CA :: 61.57(D) CB :: 37.62(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.29(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.93(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.25 I 0.03 C 0.01 HN Overlap>> 1.L226 1.L226 C Shift Assignments>> C :: 177.32(D) CA :: 55.04(D) CB :: 16.93(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.45(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.64(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.49 C 0.01 C Shift Assignments>> C :: 175.53 CA :: 52.16 CB :: 15.26 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.24 Ave N Shift Values>> N :: 123.23(3.54) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.18 F 0.09 R 0.06 Y 0.06 C 0.05 N 0.03 C Shift Assignments>> C :: 176.03 CA :: 54.93 CB :: 41.82 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.61 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.97 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 C 0.24 P 0.15 W 0.08 K 0.04 R 0.04 E 0.03 H 0.03 M 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 176.96(D) CA :: 61.35(D) CB :: 31.83(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.23(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.67(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 D 0.23 F 0.09 Y 0.09 C 0.08 L 0.07 C Shift Assignments>> C :: 175.88 CA :: 53.75(D) CB :: 39.27(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.72(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.45(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.12 E 0.12 I 0.1 Q 0.1 H 0.09 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 178.15 CA :: 59.14 CB :: 28.96 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.27 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.17 Ave N Shift Values>> N :: 120.67(3.48) 1.G99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.47 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.47(D) CA :: 44.43(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.04(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.41(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 C 0.15 M 0.12 Q 0.11 W 0.11 E 0.07 K 0.06 C Shift Assignments>> C :: 177.67 CA :: 53.46 CB :: 30.6 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.54 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.59 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.28(D) CA :: 55.91(D) CB :: 65.51(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.99(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.93(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 169.55 CA :: 45.33 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.2 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.8 Ave N Shift Values>> N :: 109.67(3.87) 1.V103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 V 0.18 K 0.11 Q 0.1 M 0.07 E 0.04 W 0.03 R 0.02 I 0.02 H 0.02 Y 0.01 HN Overlap>> 1.V430 1.V430 C Shift Assignments>> C :: 171.98(D) CA :: 59.91 CB :: 34.11(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.18(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.78(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 P 0.21 C 0.2 Q 0.1 K 0.09 H 0.06 R 0.05 W 0.03 HN Overlap>> 1.L202 1.L202 C Shift Assignments>> CA :: 51.88(D) CB :: 33.13 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.98(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 127.51(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.19 N 0.18 F 0.07 K 0.06 C 0.05 Y 0.05 C Shift Assignments>> C :: 175.12 CA :: 53.28 CB :: 40.96 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.99 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 133.76 Ave N Shift Values>> N :: 121.86(3.9) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K333 1.K333 C Shift Assignments>> C :: 171.51 CA :: 60.54 CB :: 68.4 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.16 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.76 Ave N Shift Values>> N :: 115.42(4.75) 1.G107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.13 C 0.12 Y 0.1 F 0.09 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 174.23 CA :: 53.96 CB :: 38.34 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.07 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.79 Ave N Shift Values>> N :: 120.65(3.86) 1.Y114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.27 C 0.13 D 0.1 L 0.08 I 0.06 N 0.03 C Shift Assignments>> C :: 176.99 CA :: 57.17(D) CB :: 39.74(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.1(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.3(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.26 L 0.16 C 0.05 F 0.04 K 0.04 Y 0.02 HN Overlap>> 1.Q190 1.Q190 C Shift Assignments>> C :: 172.73(D) CA :: 51.46(D) CB :: 41.13(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.7(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.91(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 170.48 CA :: 46.63 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.62 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.78 Ave N Shift Values>> N :: 109.67(3.87) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.2 K 0.2 F 0.1 Y 0.07 R 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 175.37 CA :: 55.44 CB :: 41.77 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.14 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.3 Ave N Shift Values>> N :: 120.45(4.18) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 Q 0.21 K 0.18 C 0.17 R 0.06 H 0.06 W 0.03 E 0.02 V 0.01 C Shift Assignments>> C :: 176.42 CA :: 55.88 CB :: 33.53 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.3 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.01 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 F 0.22 C 0.16 Y 0.16 K 0.05 R 0.01 C Shift Assignments>> C :: 173.45 CA :: 62.13 CB :: 41.55 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.34(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.21 K 0.12 W 0.07 M 0.07 Q 0.06 R 0.06 H 0.04 E 0.03 P 0.01 C Shift Assignments>> C :: 175.87 CA :: 59.95 CB :: 32.88 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.32 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.22 Ave N Shift Values>> N :: 121.14(4.54) 1.V121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.16 K 0.14 M 0.08 Q 0.08 W 0.07 R 0.06 H 0.05 E 0.04 C Shift Assignments>> C :: 175.71(D) CA :: 59.52(D) CB :: 32.89 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.01(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.48(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.33 C Shift Assignments>> C :: 176.44(D) CA :: 52.49(D) CB :: 17.04(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.05(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.82(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.43 CA :: 44.6(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.72(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.15(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.15 K 0.15 C 0.12 W 0.11 R 0.1 E 0.08 L 0.04 M 0.03 C Shift Assignments>> C :: 175.8 CA :: 54.32 CB :: 28.81 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.95 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.97 Ave N Shift Values>> N :: 120.67(3.48) 1.T125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.23 K 0.15 F 0.11 Y 0.09 C 0.06 N 0.05 R 0.02 C Shift Assignments>> C :: 176.29(D) CA :: 55.18(D) CB :: 41.29(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.44(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.26(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.47 A 0.27 C 0.18 K 0.04 P 0.01 HN Overlap>> 1.A232 1.A232 C Shift Assignments>> C :: 177.5(D) CA :: 50.55(D) CB :: 23.22(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.29(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.53(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 C 0.2 Y 0.15 E 0.13 F 0.11 M 0.05 D 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 177.9(D) CA :: 55.19(D) CB :: 37.49(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 10.3(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.39(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 C 0.13 E 0.12 H 0.11 R 0.09 I 0.04 M 0.02 L 0.02 HN Overlap>> 1.L392 1.L392 C Shift Assignments>> C :: 178.74 CA :: 57.55 CB :: 28.8 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.29 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.56 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.25 V 0.11 Y 0.04 F 0.02 E 0.01 C Shift Assignments>> CA :: 63.76 CB :: 36.58 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.96 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 121.46(4.28) 1.Q132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 R 0.17 P 0.16 I 0.14 C 0.1 K 0.04 Q 0.04 W 0.02 H 0.02 E 0.01 C Shift Assignments>> C :: 178.19(D) CB :: 26.49(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.15(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.85(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 I 0.36 A 0.14 HN Overlap>> 1.D25 1.D25 C Shift Assignments>> C :: 180.48 CB :: 17.11 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.85 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.78 Ave N Shift Values>> N :: 123.23(3.54) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.11 I 0.05 K 0.03 N 0.02 HN Overlap>> 1.F433 1.F433 C Shift Assignments>> C :: 177.54 CA :: 57.33 CB :: 40.22 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.17 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.46 Ave N Shift Values>> N :: 121.86(3.9) 1.R135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 I 0.23 L 0.11 W 0.09 Q 0.08 K 0.07 H 0.05 E 0.04 R 0.02 C Shift Assignments>> C :: 178.53 CA :: 59.13(D) CB :: 26.72(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.32(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.45(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 K 0.13 I 0.12 E 0.11 Q 0.1 H 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 178.02 CA :: 59.01 CB :: 28.58 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.83 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.34 Ave N Shift Values>> N :: 120.67(3.48) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.17 I 0.12 E 0.1 R 0.08 H 0.07 K 0.06 Q 0.06 V 0.05 M 0.01 C Shift Assignments>> C :: 178.89 CA :: 60.31 CB :: 29.79 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.82 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.28 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.18 V 0.04 Y 0.02 F 0.02 HN Overlap>> 1.F367 1.F367 C Shift Assignments>> C :: 178.29 CA :: 65.05 CB :: 37.37 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.08 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.14 Ave N Shift Values>> N :: 121.46(4.28) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 K 0.13 E 0.12 Q 0.11 H 0.09 R 0.08 I 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 178.55 CA :: 58.84 CB :: 29.02 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.96 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.08 Ave N Shift Values>> N :: 120.67(3.48) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 R 0.14 H 0.14 C 0.13 K 0.12 W 0.1 E 0.08 Q 0.07 C Shift Assignments>> C :: 176.14 CA :: 55.49 CB :: 31.58 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.97 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.57 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.57 D 0.2 C 0.07 L 0.04 F 0.04 Y 0.04 HN Overlap>> 1.R335 1.R335 C Shift Assignments>> C :: 174.7(D) CA :: 52.05(D) CB :: 39.16 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.76(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.89(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.05 C 0.01 D 0.01 C Shift Assignments>> C :: 176.01(D) CA :: 51.46(D) CB :: 45.05 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.96(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.43(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 M 0.02 C 0.02 L 0.01 C Shift Assignments>> C :: 176.87(D) CA :: 50.96(D) CB :: 19.99(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.86(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.2(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.08 CA :: 56.45 CB :: 65.06 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.31 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.06 Ave N Shift Values>> N :: 116.28(3.52) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.27 R 0.18 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 170.29 CA :: 44.28 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.51 Ave N Shift Values>> N :: 109.67(3.87) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 C 0.23 P 0.17 W 0.1 I 0.05 R 0.04 E 0.03 H 0.03 K 0.02 M 0.01 Q 0.01 HN Overlap>> 1.L452 1.L44 1.L452 1.L44 C Shift Assignments>> C :: 175.65 CA :: 61.63 CB :: 31.13 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.41 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.85 Ave N Shift Values>> N :: 121.14(4.54) 1.G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.27 D 0.06 F 0.05 K 0.04 G 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.5 CA :: 43.19 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.79 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.44 Ave N Shift Values>> N :: 109.67(3.87) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.44 CA :: 57.09 CB :: 65.44 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.42 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.49 Ave N Shift Values>> N :: 116.28(3.52) 1.V150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.17 K 0.14 Q 0.12 M 0.09 W 0.04 R 0.04 H 0.03 E 0.02 I 0.01 C Shift Assignments>> C :: 173.53 CA :: 59.59 CB :: 33.66 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.37 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 121.14(4.54) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.17 K 0.14 H 0.12 R 0.12 Q 0.08 W 0.06 E 0.03 C Shift Assignments>> C :: 174.8 CA :: 53.64 CB :: 32.39 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.49 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.46 Ave N Shift Values>> N :: 120.67(3.48) 1.Q152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.14 H 0.12 C 0.11 R 0.11 W 0.1 E 0.09 L 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 175.61 CA :: 55.43 CB :: 28.36 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.69 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.63 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 V 0.22 K 0.07 Q 0.06 E 0.06 I 0.06 M 0.05 Y 0.02 W 0.01 R 0.01 H 0.01 F 0.01 C Shift Assignments>> C :: 173.78(D) CA :: 60.56(D) CB :: 34.58(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.18(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.56(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.24 C 0.07 L 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.64 CA :: 52.05 CB :: 39.5 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.54 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.31 Ave N Shift Values>> N :: 120.65(3.86) 1.I155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.2 K 0.15 L 0.11 C 0.1 D 0.06 I 0.05 R 0.01 C Shift Assignments>> C :: 175.84 CA :: 58.13(D) CB :: 41.1(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.67(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.88(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 I 0.23 F 0.22 C 0.19 E 0.03 C Shift Assignments>> C :: 175.24(D) CA :: 59.34(D) CB :: 38.4(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.38(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.93(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.11 H 0.11 Q 0.1 K 0.09 I 0.04 M 0.03 V 0.02 C Shift Assignments>> C :: 177.94 CA :: 58.78 CB :: 29.81 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.24 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.96 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.2 Y 0.18 F 0.14 E 0.01 C Shift Assignments>> C :: 175.2 CA :: 61.26 CB :: 38.08 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.67 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124 Ave N Shift Values>> N :: 120.52(4.2) 1.F160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 Y 0.27 F 0.26 C 0.16 L 0.01 HN Overlap>> 1.V271 1.V271 C Shift Assignments>> C :: 176.72 CA :: 59.99 CB :: 39.42 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.62 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.57 Ave N Shift Values>> N :: 120.45(4.18) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.12 K 0.12 R 0.11 M 0.09 H 0.09 V 0.09 E 0.09 Q 0.04 HN Overlap>> 1.V428 1.V428 C Shift Assignments>> CA :: 59 CB :: 31.82 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.84 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.85 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 C 0.19 I 0.12 L 0.12 Q 0.09 W 0.08 H 0.05 E 0.05 K 0.04 HN Overlap>> 1.I192 1.I192 C Shift Assignments>> C :: 179.23 CA :: 58.42 CB :: 26.91 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.02 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.91 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 V 0.28 C 0.22 Y 0.01 C Shift Assignments>> C :: 177.22 CA :: 65.89(D) CB :: 36.16 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.41(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.31(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 K 0.13 I 0.11 E 0.11 Q 0.11 H 0.09 R 0.07 L 0.01 M 0.01 HN Overlap>> 1.K445 1.Q451 1.E390 1.K445 1.Q451 1.E390 C Shift Assignments>> C :: 178.31 CA :: 58.94 CB :: 28.59 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.36 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.21 F 0.18 Y 0.18 N 0.15 C 0.11 L 0.11 I 0.02 C Shift Assignments>> C :: 176.67 CA :: 55.52(D) CB :: 39.58(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.35(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.83(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.25 R 0.06 C 0.04 D 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.71 CA :: 54.78 CB :: 44.93 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.45 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.06 Ave N Shift Values>> N :: 120.65(3.86) 1.I167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.26 M 0.11 Y 0.08 K 0.07 Q 0.05 F 0.04 I 0.03 V 0.01 HN Overlap>> 1.Q355 1.Q355 C Shift Assignments>> CA :: 57.56 CB :: 35.81 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.07 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.89 Ave N Shift Values>> N :: 121.46(4.28) 1.A168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.03 C 0.01 C Shift Assignments>> C :: 176.13 CA :: 49.79 CB :: 19.15 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.6 Ave N Shift Values>> N :: 123.23(3.54) 1.M169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.16 K 0.15 H 0.11 R 0.11 Q 0.09 W 0.06 E 0.04 HN Overlap>> 1.V251 1.V251 C Shift Assignments>> C :: 177.64 CA :: 54.15 CB :: 32.44 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.42 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.72 Ave N Shift Values>> N :: 120.09(3.57) 1.A170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 176.18 CA :: 52.14 CB :: 18.59 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.29 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.62 Ave N Shift Values>> N :: 123.23(3.54) 1.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 H 0.16 R 0.15 C 0.14 W 0.09 K 0.09 Q 0.08 E 0.06 HN Overlap>> 1.V455 1.V455 C Shift Assignments>> C :: 172.33 CA :: 53.66 CB :: 31.29 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.31 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.88 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.17 Y 0.1 E 0.09 F 0.08 D 0.05 M 0.05 L 0.01 C Shift Assignments>> C :: 173.51 CA :: 54.16 CB :: 37.45 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.78 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.14 Ave N Shift Values>> N :: 120.09(3.57) 1.K174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.17 C 0.16 Q 0.15 R 0.08 H 0.08 W 0.05 E 0.02 C Shift Assignments>> C :: 175.82 CA :: 54.74 CB :: 33 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.79 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.82 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.2 I 0.08 V 0.07 M 0.07 Y 0.06 K 0.06 Q 0.05 F 0.03 C Shift Assignments>> C :: 174.7 CA :: 59.45 CB :: 35.44 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.02 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.99 Ave N Shift Values>> N :: 121.14(4.54) 1.V176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.17 E 0.11 R 0.1 V 0.09 H 0.08 Q 0.05 K 0.05 I 0.04 M 0.03 P 0.01 C Shift Assignments>> CA :: 59.94 CB :: 30.69 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.48 Ave N Shift Values>> N :: 121.14(4.54) 1.V177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 V 0.23 K 0.11 Q 0.08 M 0.06 W 0.05 R 0.04 H 0.03 E 0.02 P 0.01 C Shift Assignments>> C :: 172.38(D) CA :: 60.12(D) CB :: 33.35(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.23(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.32(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.26 G 0.15 R 0.12 C 0.05 N 0.05 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 178.77 CA :: 51.12 CB :: 42.83 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.38 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.23 Ave N Shift Values>> N :: 120.65(3.86) 1.C179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 C 0.19 W 0.13 K 0.09 E 0.08 R 0.07 Q 0.07 H 0.06 L 0.01 P 0.01 HN Overlap>> 1.L290 1.L290 C Shift Assignments>> C :: 176.73 CA :: 59.84 CB :: 28.28 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.19 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.38 Ave N Shift Values>> N :: 120.17(4.64) 1.G180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 P 0.1 C 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 171.02 CA :: 47.81(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.04(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.06(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 F 0.21 C 0.16 N 0.11 D 0.09 L 0.04 I 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 174.85(D) CA :: 56.28(D) CB :: 38.64(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.17(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 106.49(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.26 G 0.26 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.63 CA :: 44.02(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.02(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.37 V 0.37 C 0.16 W 0.03 I 0.01 K 0.01 R 0.01 C Shift Assignments>> C :: 176.11(D) CA :: 62.82(D) CB :: 32.05(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.89(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.13(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.23 I 0.02 C 0.01 HN Overlap>> 1.E361 1.E361 C Shift Assignments>> C :: 178.55 CA :: 54.82 CB :: 16.35 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.62 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2 Ave N Shift Values>> N :: 123.23(3.54) 1.G185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.51(D) CA :: 46.5(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.28(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.67(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 P 0.26 C 0.21 W 0.07 I 0.03 R 0.02 E 0.02 K 0.02 H 0.02 M 0.01 C Shift Assignments>> C :: 174.9 CA :: 62.03 CB :: 31.41 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.41 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.24 Ave N Shift Values>> N :: 121.14(4.54) 1.I187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 I 0.18 C 0.14 L 0.03 K 0.03 D 0.01 C Shift Assignments>> C :: 171.9 CA :: 59.61 CB :: 40.43 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.42 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.6 Ave N Shift Values>> N :: 121.46(4.28) 1.A188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 I 0.12 A 0.04 C 0.02 C Shift Assignments>> C :: 174.52 CA :: 56.69 CB :: 15.45 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.95 Ave N Shift Values>> N :: 123.23(3.54) 1.P189 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 R 0.19 I 0.17 W 0.09 L 0.08 Q 0.08 H 0.05 E 0.05 K 0.04 HN Overlap>> 1.I39 1.N115 1.I39 1.N115 C Shift Assignments>> C :: 179.59 CA :: 58.96 CB :: 27.04 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.8 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.92 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.15 K 0.15 D 0.11 C 0.09 I 0.03 R 0.01 N 0.01 C Shift Assignments>> C :: 177.24 CA :: 57.26 CB :: 41.04 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.61 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.81 Ave N Shift Values>> N :: 121.86(3.9) 1.I192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 C 0.23 V 0.19 Y 0.01 F 0.01 HN Overlap>> 1.Q162 1.Q162 C Shift Assignments>> C :: 178.17(D) CA :: 65.19(D) CB :: 36.4(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.05(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.93(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 E 0.13 K 0.13 Q 0.11 H 0.1 R 0.09 I 0.05 M 0.02 HN Overlap>> 1.A32 1.A16 1.A32 1.A16 C Shift Assignments>> C :: 180.46 CA :: 58.45 CB :: 29.2 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.86 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.53 Ave N Shift Values>> N :: 120.67(3.48) 1.A194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.41 C 0.01 I 0.01 HN Overlap>> 1.R15 1.R15 C Shift Assignments>> C :: 179.14 CA :: 53.97 CB :: 17.87 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.91 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.72 Ave N Shift Values>> N :: 123.23(3.54) 1.L195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 F 0.15 Y 0.12 N 0.08 K 0.08 C 0.07 I 0.01 HN Overlap>> 1.N222 1.N222 C Shift Assignments>> C :: 176.75 CA :: 55.35 CB :: 40.75 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.65 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.29 Ave N Shift Values>> N :: 121.86(3.9) 1.G196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.28 R 0.21 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.67 CA :: 44.19 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.92 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.57 Ave N Shift Values>> N :: 109.67(3.87) 1.C197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 E 0.13 K 0.12 Q 0.11 H 0.1 R 0.1 I 0.05 M 0.02 V 0.01 C Shift Assignments>> C :: 174.39 CA :: 58.59 CB :: 29.37 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.12 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.93 Ave N Shift Values>> N :: 120.17(4.64) 1.S198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.17 CB :: 63.28 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.53 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.49 Ave N Shift Values>> N :: 116.28(3.52) 1.V199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 V 0.3 K 0.09 Q 0.06 M 0.05 W 0.04 P 0.03 R 0.03 H 0.02 E 0.01 I 0.01 C Shift Assignments>> C :: 175.49 CA :: 60.64 CB :: 33.46 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.01 Ave N Shift Values>> N :: 121.14(4.54) 1.I200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 C 0.22 F 0.16 E 0.14 N 0.08 I 0.05 M 0.04 D 0.03 L 0.01 C Shift Assignments>> C :: 173.49(D) CA :: 56.5(D) CB :: 37.67(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.63(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 131.09(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P201 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.4 L 0.29 R 0.13 D 0.08 C 0.04 F 0.01 Y 0.01 HN Overlap>> 1.D81 1.D81 1.M104 1.M104 C Shift Assignments>> C :: 174.25(D) CA :: 53.06(D) CB :: 44.22(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.02(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.49(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.18 Q 0.18 C 0.16 R 0.07 H 0.07 W 0.04 E 0.02 V 0.01 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 176.89 CA :: 55.68 CB :: 33.19 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.97 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.18 Ave N Shift Values>> N :: 120.52(4.2) 1.C204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 P 0.19 I 0.17 L 0.13 C 0.08 Q 0.06 W 0.03 H 0.03 K 0.02 E 0.02 HN Overlap>> 1.S354 1.S354 C Shift Assignments>> C :: 174.19 CB :: 27.32 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.62 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.91 Ave N Shift Values>> N :: 120.17(4.64) 1.E205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.14 R 0.12 C 0.12 H 0.11 W 0.1 E 0.09 L 0.07 I 0.02 M 0.02 HN Overlap>> 1.K229 1.K229 C Shift Assignments>> C :: 176.41(D) CA :: 56.05(D) CB :: 28.24(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.07(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.57(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.21 V 0.2 P 0.18 W 0.06 R 0.01 C Shift Assignments>> CA :: 63.53 CB :: 29.8 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.89 Ave N Shift Values>> N :: 121.14(4.54) 1.D207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.24 N 0.11 K 0.1 F 0.05 C 0.04 Y 0.03 R 0.03 C Shift Assignments>> CA :: 53.09(D) CB :: 41.66 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.39(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.08(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.1(D) CA :: 45.8(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.88(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.76(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 N 0.25 Y 0.19 F 0.13 C 0.08 D 0.04 L 0.01 E 0.01 HN Overlap>> 1.D246 1.D246 C Shift Assignments>> C :: 174.89(D) CB :: 38.56(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.59(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.53(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.22 I 0.13 N 0.08 Y 0.08 M 0.05 F 0.04 K 0.01 V 0.01 HN Overlap>> 1.E30 1.E30 C Shift Assignments>> C :: 172.91 CB :: 36.52 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.12 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.53 Ave N Shift Values>> N :: 120.45(4.18) 1.P211 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.21 Y 0.18 F 0.17 D 0.17 C 0.12 L 0.07 I 0.02 E 0.01 HN Overlap>> 1.L237 1.L237 C Shift Assignments>> C :: 174.18 CA :: 55.31 CB :: 39.04 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.75(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.53(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 Q 0.17 W 0.11 E 0.1 C 0.1 H 0.1 I 0.08 R 0.06 P 0.01 M 0.01 C Shift Assignments>> C :: 173.52 CB :: 29.02 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.49 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.53 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H214 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P215 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.14 D 0.11 L 0.07 N 0.06 I 0.05 C Shift Assignments>> C :: 178.81 CA :: 56.84 CB :: 39.37 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.84 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.55 Ave N Shift Values>> N :: 120.65(3.86) 1.P217 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.76(D) CA :: 45.03(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.79(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.96(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.44 C 0.14 M 0.14 H 0.07 R 0.06 K 0.05 W 0.03 Q 0.02 E 0.01 C Shift Assignments>> C :: 175.14(D) CA :: 51.62(D) CB :: 32.13(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.75(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.96(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P220 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E221 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.18 E 0.08 Y 0.07 M 0.06 F 0.05 D 0.04 HN Overlap>> 1.L195 1.T31 1.L195 1.T31 C Shift Assignments>> C :: 175.47 CA :: 53.34 CB :: 37.14 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.72 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.29 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.2 N 0.16 F 0.07 K 0.07 C 0.05 Y 0.05 C Shift Assignments>> CA :: 53.39 CB :: 41.04 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.52 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.73 Ave N Shift Values>> N :: 121.86(3.9) 1.K224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.15 W 0.13 R 0.09 K 0.08 E 0.08 H 0.07 M 0.05 Q 0.03 P 0.02 I 0.01 HN Overlap>> 1.L310 1.L310 C Shift Assignments>> C :: 178.69 CA :: 59.99 CB :: 31.58 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.74 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.58 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.26 C 0.15 D 0.09 I 0.06 L 0.06 N 0.05 E 0.01 C Shift Assignments>> C :: 178.42(D) CA :: 56.95(D) CB :: 39.11(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.59(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.6(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 D 0.1 K 0.08 I 0.05 N 0.01 HN Overlap>> 1.A93 1.A93 C Shift Assignments>> C :: 177.26 CA :: 57.59 CB :: 40.66 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.53 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.57 Ave N Shift Values>> N :: 121.86(3.9) 1.I227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.14 Y 0.01 V 0.01 F 0.01 C Shift Assignments>> CA :: 66.05 CB :: 38.04 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.37 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.26 Ave N Shift Values>> N :: 121.46(4.28) 1.A228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.38 I 0.02 C 0.01 C Shift Assignments>> C :: 180.61 CA :: 54.39 CB :: 17.17 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.68 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.77 Ave N Shift Values>> N :: 123.23(3.54) 1.K229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 C 0.13 W 0.12 E 0.12 M 0.11 K 0.09 Q 0.08 V 0.01 HN Overlap>> 1.E205 1.E205 C Shift Assignments>> C :: 177.98 CA :: 56.88 CB :: 31.11 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.13 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 P 0.26 C 0.11 I 0.07 HN Overlap>> 1.V53 1.V53 C Shift Assignments>> CA :: 66.11 CB :: 30.94 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.59 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.87 Ave N Shift Values>> N :: 121.14(4.54) 1.K231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 R 0.12 E 0.12 H 0.1 K 0.08 M 0.07 Q 0.06 V 0.05 I 0.01 C Shift Assignments>> C :: 180 CA :: 58.82 CB :: 31.08 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.44 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.62 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.02 I 0.01 HN Overlap>> 1.A127 1.A127 C Shift Assignments>> C :: 179.76 CA :: 54.49 CB :: 18.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.61 Ave N Shift Values>> N :: 123.23(3.54) 1.E233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.13 K 0.13 R 0.12 C 0.12 L 0.1 W 0.09 E 0.07 M 0.02 C Shift Assignments>> C :: 175.59 CA :: 54.33 CB :: 28.27 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.81 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 113.25 Ave N Shift Values>> N :: 120.67(3.48) 1.N234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.21 E 0.14 M 0.09 Y 0.07 F 0.05 D 0.02 K 0.01 HN Overlap>> 1.K269 1.K269 C Shift Assignments>> C :: 175.31 CA :: 53.82 CB :: 36.79 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.73 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.89 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 175.5 CA :: 51.19 CB :: 19.48 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.81 Ave N Shift Values>> N :: 123.23(3.54) 1.D236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.22 F 0.12 D 0.12 R 0.12 Y 0.08 C 0.06 C Shift Assignments>> C :: 176.54 CA :: 56.54 CB :: 42.11 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.92 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.81 Ave N Shift Values>> N :: 120.65(3.86) 1.L237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.15 C 0.03 D 0.01 R 0.01 HN Overlap>> 1.N212 1.N212 C Shift Assignments>> C :: 173.51 CA :: 54.09 CB :: 45.46 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.66 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.55 Ave N Shift Values>> N :: 121.86(3.9) 1.G238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.3 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 170.34(D) CA :: 44.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.14(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 C 0.01 C Shift Assignments>> C :: 173.8 CA :: 52.08 CB :: 45.53 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.74 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.01 Ave N Shift Values>> N :: 121.86(3.9) 1.A240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 A 0.4 C 0.04 L 0.03 C Shift Assignments>> C :: 175.39 CA :: 48.34 CB :: 21.53 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.57 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.42 Ave N Shift Values>> N :: 123.23(3.54) 1.F241 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.21 K 0.2 R 0.2 F 0.12 Y 0.08 D 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 175.77(D) CA :: 57.1(D) CB :: 42.49(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.98(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.72(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D242 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G243 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.66 D 0.13 C 0.08 F 0.03 Y 0.03 L 0.02 HN Overlap>> 1.G277 1.G277 C Shift Assignments>> C :: 176.43(D) CA :: 51.55(D) CB :: 38.64(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.14(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 112.19(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.76(D) CA :: 46.09(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.76(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.16 C 0.1 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.N209 1.N209 C Shift Assignments>> C :: 173.6 CA :: 53.52 CB :: 38.68 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.68 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.59 Ave N Shift Values>> N :: 120.65(3.86) 1.R247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.21 C 0.2 K 0.14 E 0.06 H 0.03 R 0.03 W 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 173.71(D) CA :: 54.64(D) CB :: 34.41(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.73(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.11(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.22 M 0.12 K 0.1 Q 0.1 Y 0.05 V 0.03 I 0.02 F 0.02 H 0.01 R 0.01 W 0.01 HN Overlap>> 1.E351 1.E351 C Shift Assignments>> C :: 172.75 CA :: 57.98 CB :: 35.24 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.97 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.75 Ave N Shift Values>> N :: 121.14(4.54) 1.G249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.29 D 0.07 K 0.07 F 0.06 Y 0.03 G 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 171.67 CA :: 43.02 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.09 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.86 Ave N Shift Values>> N :: 109.67(3.87) 1.V250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 V 0.25 K 0.06 I 0.06 E 0.05 Q 0.05 M 0.04 Y 0.02 W 0.01 R 0.01 F 0.01 H 0.01 C Shift Assignments>> C :: 173.79(D) CA :: 60.77(D) CB :: 34.59(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.02(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.68(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Q 0.19 K 0.16 M 0.16 E 0.07 V 0.04 R 0.03 H 0.03 W 0.02 Y 0.01 HN Overlap>> 1.M169 1.M169 C Shift Assignments>> C :: 175.82 CA :: 57.79 CB :: 34.31 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.44 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.81 Ave N Shift Values>> N :: 121.14(4.54) 1.T252 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.72(D) CA :: 60.41(D) CB :: 70.44(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.49(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.42(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N253 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.23 Y 0.11 M 0.1 N 0.07 F 0.06 K 0.03 I 0.02 Q 0.01 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 175.41 CA :: 55.95 CB :: 36.54 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.73 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T254 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 S 0.04 C Shift Assignments>> CA :: 60.86 CB :: 67.67 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.41 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.91 Ave N Shift Values>> N :: 115.42(4.75) 1.G255 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.21 CA :: 44.87 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.93 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.56 Ave N Shift Values>> N :: 109.67(3.87) 1.T256 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 S 0.07 C Shift Assignments>> C :: 174.13 CA :: 62.66 CB :: 66.92 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.2 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.65 Ave N Shift Values>> N :: 115.42(4.75) 1.I257 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.21 Y 0.13 F 0.09 E 0.01 V 0.01 C Shift Assignments>> C :: 174.54 CA :: 62.01 CB :: 37.72 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.28 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.66 Ave N Shift Values>> N :: 121.46(4.28) 1.I258 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.22 M 0.21 C 0.18 K 0.17 R 0.04 H 0.04 E 0.03 W 0.02 V 0.01 C Shift Assignments>> C :: 175.68(D) CA :: 56.07(D) CB :: 33.92(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.97(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y259 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.25 M 0.1 Y 0.09 K 0.05 F 0.05 I 0.03 Q 0.03 N 0.01 V 0.01 C Shift Assignments>> C :: 174.05 CA :: 57.35 CB :: 36.03 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.49 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.52 Ave N Shift Values>> N :: 120.52(4.2) 1.P260 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D261 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 C 0.18 N 0.17 F 0.17 E 0.07 D 0.07 I 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 176.53 CA :: 55.81 CB :: 38.08(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.53(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.74(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R262 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 W 0.14 C 0.13 Q 0.13 E 0.13 H 0.11 R 0.09 I 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 178.51(D) CA :: 57.87(D) CB :: 29.01(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.35(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.99(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L263 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 D 0.08 L 0.08 I 0.07 N 0.02 K 0.01 HN Overlap>> 1.W34 1.W34 C Shift Assignments>> C :: 178.27 CA :: 57.61 CB :: 39.94 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.57 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.79 Ave N Shift Values>> N :: 121.86(3.9) 1.L264 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.13 C 0.1 K 0.06 I 0.04 N 0.02 C Shift Assignments>> C :: 178.16 CA :: 57.05 CB :: 40.48 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.79 Ave N Shift Values>> N :: 121.86(3.9) 1.M265 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.16 R 0.1 E 0.1 V 0.1 H 0.08 K 0.07 Q 0.05 M 0.04 I 0.02 P 0.01 C Shift Assignments>> C :: 176.19(D) CA :: 59.74(D) CB :: 31.05(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.28(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.54(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L266 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 K 0.15 L 0.14 D 0.1 C 0.09 I 0.04 R 0.01 N 0.01 C Shift Assignments>> C :: 179.41(D) CA :: 57.53(D) CB :: 41.03(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.66(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.42(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F267 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.24 C 0.19 I 0.1 E 0.05 D 0.03 N 0.03 L 0.02 M 0.01 HN Overlap>> 1.E442 1.E442 C Shift Assignments>> C :: 177.53 CA :: 57.62 CB :: 38.38 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.82 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.23 Ave N Shift Values>> N :: 120.45(4.18) 1.A268 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.32 I 0.02 C 0.01 C Shift Assignments>> C :: 178.15(D) CA :: 54.81(D) CB :: 17.21(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.37(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K269 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.14 V 0.1 R 0.1 E 0.09 H 0.08 K 0.08 M 0.06 Q 0.04 I 0.01 P 0.01 HN Overlap>> 1.V428 1.V428 1.N234 1.N234 C Shift Assignments>> CA :: 59.58 CB :: 31.37 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.76 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.99 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D270 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.19 F 0.11 K 0.1 Y 0.07 C 0.07 D 0.04 G 0.03 I 0.01 C Shift Assignments>> C :: 177.47 CA :: 57.89 CB :: 43.15 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.2 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.11 Ave N Shift Values>> N :: 120.65(3.86) 1.V271 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.6 P 0.24 C 0.1 I 0.03 HN Overlap>> 1.F160 1.F160 C Shift Assignments>> C :: 179.61(D) CA :: 66.38(D) CB :: 31.47(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.68(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.58(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V272 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 V 0.27 P 0.21 C 0.18 W 0.02 C Shift Assignments>> C :: 177.63 CA :: 64.77 CB :: 29.89 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.93 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.18 Ave N Shift Values>> N :: 121.14(4.54) 1.S273 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.82(D) CB :: 62.57 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.92(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R274 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.15 C 0.15 R 0.13 H 0.12 W 0.09 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> C :: 175.31 CA :: 56.31 CB :: 32.02 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.65 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.25 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N275 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.33 L 0.1 C 0.07 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 169.18(S) CA :: 50.3 CB :: 40.67 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.43 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.04 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P276 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G277 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.D244 1.D244 C Shift Assignments>> CA :: 44.72 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.15 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.16 Ave N Shift Values>> N :: 109.67(3.87) 1.A278 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 176.07 CA :: 52.5 CB :: 19.15 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.16 Ave N Shift Values>> N :: 123.23(3.54) 1.D279 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.21 N 0.14 F 0.08 K 0.08 Y 0.06 C 0.05 C Shift Assignments>> C :: 175.75 CA :: 53.74 CB :: 41.06 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.6 Ave N Shift Values>> N :: 120.65(3.86) 1.I280 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.24 C 0.2 I 0.11 E 0.05 D 0.03 N 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 174.65(D) CA :: 57.72(D) CB :: 38.37(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.03(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.85(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I281 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.24 C 0.19 I 0.17 E 0.03 D 0.01 L 0.01 C Shift Assignments>> C :: 174.05(D) CA :: 58.63(D) CB :: 38.53(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.85(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F282 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.23 F 0.13 Y 0.12 C 0.09 L 0.09 I 0.01 C Shift Assignments>> C :: 173.86 CA :: 54.51 CB :: 39.41 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.81 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.49 Ave N Shift Values>> N :: 120.45(4.18) 1.D283 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.2 G 0.18 D 0.16 C 0.04 F 0.02 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 177.66(D) CA :: 52.73(D) CB :: 43.56(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.52(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.14(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V284 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K285 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C286 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T287 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R288 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R289 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 Q 0.1 H 0.09 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.06 S 0.03 D 0.03 HN Overlap>> 1.R300 1.R300 C Shift Assignments>> CA :: 56.72 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.62 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.88 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L290 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.11 C 0.11 K 0.09 D 0.08 I 0.06 N 0.01 HN Overlap>> 1.C179 1.C179 C Shift Assignments>> C :: 177.11 CA :: 57.85 CB :: 40.71 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.23 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 121.86(3.9) 1.I291 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.7 C 0.18 V 0.06 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.65(D) CA :: 65.36(D) CB :: 37.21(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.82(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.98(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A292 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.54 M 0.42 C 0.01 I 0.01 C Shift Assignments>> C :: 180.61(D) CA :: 53.92(D) CB :: 17.72(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.08(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.27(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L293 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.19 L 0.16 Y 0.14 D 0.08 C 0.08 R 0.05 I 0.02 C Shift Assignments>> C :: 178.25 CA :: 57.55 CB :: 41.59 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.56 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.46 Ave N Shift Values>> N :: 121.86(3.9) 1.I294 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.71 C 0.18 V 0.06 Y 0.02 F 0.01 HN Overlap>> 1.D407 1.D407 C Shift Assignments>> C :: 178.42 CA :: 65.61(D) CB :: 37.23(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.93(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.16(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S295 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.25(D) CB :: 62.32 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.97(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.87(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G296 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.56 CA :: 46.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.94 Ave N Shift Values>> N :: 109.67(3.87) 1.Y297 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 C 0.21 F 0.21 I 0.11 E 0.09 N 0.02 D 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 57.77 CB :: 37.99 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.39 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.94 Ave N Shift Values>> N :: 120.52(4.2) 1.G298 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.09 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.84 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.01 Ave N Shift Values>> N :: 109.67(3.87) 1.G299 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 F 0.05 K 0.05 G 0.04 Y 0.03 C 0.03 I 0.01 HN Overlap>> 1.Y17 1.Y17 C Shift Assignments>> C :: 171.31 CA :: 43.14 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.29 Ave N Shift Values>> N :: 109.67(3.87) 1.R300 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 H 0.17 R 0.14 M 0.13 W 0.1 Q 0.08 P 0.06 K 0.05 E 0.04 HN Overlap>> 1.R289 1.R289 C Shift Assignments>> C :: 173.05 CA :: 52.4 CB :: 30.82 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.64 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.89 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P301 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V302 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 C 0.25 P 0.11 W 0.08 K 0.06 R 0.04 H 0.03 E 0.03 M 0.03 Q 0.01 I 0.01 C Shift Assignments>> C :: 172.18 CA :: 61.06 CB :: 32.17 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.82 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.44 Ave N Shift Values>> N :: 121.14(4.54) 1.M303 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.17 K 0.16 C 0.16 H 0.07 R 0.07 W 0.04 E 0.02 C Shift Assignments>> C :: 175.55 CA :: 54.45 CB :: 33.21 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.8 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 127.7 Ave N Shift Values>> N :: 120.09(3.57) 1.W304 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.27 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 173.02 CA :: 53.18 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.97 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.38 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K305 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T306 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G307 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.42 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.51 Ave N Shift Values>> N :: 109.67(3.87) 1.H308 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S309 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L310 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.14 D 0.11 L 0.07 N 0.06 I 0.05 HN Overlap>> 1.K66 1.K224 1.K66 1.K224 C Shift Assignments>> C :: 178.81 CA :: 56.84 CB :: 39.31 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.84 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.59 Ave N Shift Values>> N :: 121.86(3.9) 1.I311 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.43 C 0.32 I 0.13 P 0.03 Y 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 177.14 CA :: 62.83 CB :: 34.85 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.93 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.28 Ave N Shift Values>> N :: 121.46(4.28) 1.K312 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.16 E 0.11 R 0.11 H 0.09 V 0.08 K 0.06 Q 0.05 M 0.05 I 0.02 HN Overlap>> 1.Q70 1.Q70 C Shift Assignments>> C :: 178.74 CA :: 59.6 CB :: 30.98 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.75 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.31 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K313 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.13 R 0.11 K 0.11 E 0.09 H 0.09 V 0.08 M 0.08 Q 0.04 C Shift Assignments>> C :: 178.13 CA :: 59.05 CB :: 31.63 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.43 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.64 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K314 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 W 0.12 C 0.12 E 0.12 Q 0.11 M 0.1 K 0.07 C Shift Assignments>> C :: 179.58(D) CA :: 56(D) CB :: 30.73(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.53(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.36(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M315 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 M 0.03 V 0.03 T 0.02 L 0.01 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 178.02 CA :: 58.89 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.37 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.96 Ave N Shift Values>> N :: 120.09(3.57) 1.K316 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E317 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 H 0.11 R 0.11 Q 0.1 K 0.09 I 0.03 M 0.03 V 0.01 HN Overlap>> 1.R394 1.R394 C Shift Assignments>> CA :: 58.46 CB :: 29.83 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.89 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.48 Ave N Shift Values>> N :: 120.67(3.48) 1.T318 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.26 CA :: 61.68 CB :: 71.37 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.44 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.4 Ave N Shift Values>> N :: 115.42(4.75) 1.G319 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.68(D) CA :: 45.41(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.25(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A320 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.15(D) CA :: 52.24(D) CB :: 18.85(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.37(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.03(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L321 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 L 0.28 D 0.1 K 0.1 F 0.07 C 0.05 Y 0.04 G 0.02 C Shift Assignments>> C :: 176.79 CA :: 55.9 CB :: 43.05(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.72(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L322 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.16 C 0.03 R 0.02 D 0.02 C Shift Assignments>> C :: 172.48 CA :: 53.09 CB :: 45.02 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.28 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.27 Ave N Shift Values>> N :: 121.86(3.9) 1.A323 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 C 0.24 P 0.18 A 0.1 G 0.08 K 0.04 C Shift Assignments>> C :: 175.84(D) CA :: 49.29(D) CB :: 23.93(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.68(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.72(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G324 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 169.32 CA :: 45.58 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.83 Ave N Shift Values>> N :: 109.67(3.87) 1.E325 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.16 H 0.13 K 0.13 R 0.13 W 0.07 Q 0.05 E 0.04 C Shift Assignments>> C :: 178.01 CA :: 53.81 CB :: 32.07 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.99 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.33 Ave N Shift Values>> N :: 120.67(3.48) 1.M326 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S327 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G328 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.43 CA :: 44.86 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.03 Ave N Shift Values>> N :: 109.67(3.87) 1.H329 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 W 0.13 E 0.12 C 0.12 H 0.12 R 0.09 I 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 173.49 CA :: 57.14 CB :: 28.86 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.09 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.86 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V330 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.4 P 0.23 C 0.22 W 0.04 K 0.02 R 0.01 H 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 174.67 CA :: 62.03 CB :: 32.64 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.75 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.55 Ave N Shift Values>> N :: 121.14(4.54) 1.F331 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 F 0.15 L 0.15 N 0.14 Y 0.13 C 0.08 K 0.02 I 0.01 C Shift Assignments>> C :: 174.15 CA :: 55.12(D) CB :: 40.17(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.29(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.44(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F332 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 I 0.15 C 0.14 L 0.04 D 0.03 K 0.01 C Shift Assignments>> CA :: 58.8 CB :: 39.87 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.33 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 120.45(4.18) 1.K333 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.18 C 0.16 Q 0.15 R 0.08 H 0.08 W 0.05 E 0.03 V 0.01 HN Overlap>> 1.T106 1.T106 C Shift Assignments>> CA :: 55.62 CB :: 33 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.13 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.78 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E334 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 Q 0.13 K 0.13 W 0.12 R 0.12 E 0.1 H 0.09 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 176.12 CA :: 57.77 CB :: 28.2 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.6 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.68 Ave N Shift Values>> N :: 120.67(3.48) 1.R335 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.13 Q 0.12 I 0.12 K 0.11 E 0.09 H 0.08 L 0.05 R 0.05 M 0.01 HN Overlap>> 1.D142 1.D142 C Shift Assignments>> C :: 174.02(D) CA :: 58.5(D) CB :: 27.89(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.86(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.9(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W336 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 C 0.15 H 0.15 R 0.14 K 0.1 W 0.09 Q 0.06 E 0.05 C Shift Assignments>> C :: 176.46(D) CA :: 53.63 CB :: 31.62(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.77(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.17(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F337 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.19 F 0.11 K 0.11 Y 0.07 C 0.07 D 0.04 G 0.03 I 0.01 C Shift Assignments>> C :: 177.06(D) CA :: 57.77(D) CB :: 43.1(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.36(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.67(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G338 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 171.98(D) CA :: 45.28(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.51(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.84(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F339 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.28 L 0.11 F 0.09 Y 0.08 C 0.07 C Shift Assignments>> C :: 172.79 CA :: 53.81 CB :: 39.79 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.13 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 111.12 Ave N Shift Values>> N :: 120.45(4.18) 1.D340 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D341 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G342 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.05(D) CA :: 46.75(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.54(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.36(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I343 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.21 I 0.16 P 0.02 C Shift Assignments>> C :: 177.54 CA :: 65.3 CB :: 35 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.56 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.64 Ave N Shift Values>> N :: 121.46(4.28) 1.Y344 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.25 Y 0.15 F 0.1 E 0.05 V 0.01 C Shift Assignments>> C :: 177.61 CA :: 61.24 CB :: 37.31 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.82 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.21 Ave N Shift Values>> N :: 120.52(4.2) 1.S345 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 T 0.23 I 0.19 P 0.16 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 C Shift Assignments>> C :: 179.03 CA :: 62.6 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.82 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.75 Ave N Shift Values>> N :: 116.28(3.52) 1.A346 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A347 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.24 I 0.02 C 0.01 C Shift Assignments>> C :: 178.59(D) CA :: 54.8(D) CB :: 16.5(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.74(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.25(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R348 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.4 C 0.16 Q 0.12 K 0.08 H 0.07 W 0.06 E 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 180.13 CA :: 55.07(D) CB :: 26.65(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.19(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L349 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.12 L 0.09 D 0.08 I 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 177.49 CA :: 57.69 CB :: 40.14 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.51 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.21 Ave N Shift Values>> N :: 121.86(3.9) 1.L350 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.28 C 0.15 I 0.1 D 0.06 L 0.05 N 0.02 C Shift Assignments>> C :: 178.5 CA :: 57.76(D) CB :: 39.39(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.23(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.33(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E351 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 I 0.12 E 0.1 R 0.08 H 0.07 K 0.07 Q 0.06 V 0.04 M 0.01 HN Overlap>> 1.V248 1.V248 C Shift Assignments>> C :: 179.5 CA :: 60.2 CB :: 29.71 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.02 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.75 Ave N Shift Values>> N :: 120.67(3.48) 1.I352 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.13 Y 0.03 F 0.03 C Shift Assignments>> C :: 179.71(D) CA :: 65.02(D) CB :: 38.51(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.48(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.22(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L353 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.13 L 0.12 C 0.11 I 0.04 K 0.04 N 0.03 C Shift Assignments>> C :: 180.43 CA :: 57.08 CB :: 40.29 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.79 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.09 Ave N Shift Values>> N :: 121.86(3.9) 1.S354 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C204 1.C204 C Shift Assignments>> C :: 174.19 CA :: 60.61 CB :: 62.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.59 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.84 Ave N Shift Values>> N :: 116.28(3.52) 1.Q355 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.13 C 0.11 W 0.11 R 0.1 E 0.09 L 0.06 M 0.02 I 0.01 HN Overlap>> 1.I167 1.I167 C Shift Assignments>> C :: 174.47 CA :: 55.25 CB :: 28.48 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.07 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.96 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D356 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.07 D 0.06 C 0.03 F 0.01 C Shift Assignments>> C :: 175.06 CA :: 52.29 CB :: 44.38 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.56 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.33 Ave N Shift Values>> N :: 120.65(3.86) 1.Q357 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 C 0.12 H 0.11 W 0.11 R 0.11 E 0.1 L 0.05 I 0.02 M 0.02 C Shift Assignments>> C :: 177.26 CA :: 56.52 CB :: 28.38 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.34 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.65 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R358 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.16 M 0.13 C 0.12 W 0.11 Q 0.1 E 0.09 K 0.08 HN Overlap>> 1.V82 1.V82 C Shift Assignments>> C :: 175.31 CA :: 54.9 CB :: 30.93 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.04 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.16 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D359 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.3 L 0.09 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.1 CA :: 52.28 CB :: 40 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.03 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.03 Ave N Shift Values>> N :: 120.65(3.86) 1.S360 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.77 CB :: 62.93 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.72 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.25 Ave N Shift Values>> N :: 116.28(3.52) 1.E361 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.13 K 0.12 Q 0.12 R 0.1 E 0.1 I 0.1 H 0.08 L 0.03 M 0.01 HN Overlap>> 1.A184 1.A184 C Shift Assignments>> C :: 179.24 CA :: 58.51 CB :: 28.24 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.63 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.21 Ave N Shift Values>> N :: 120.67(3.48) 1.H362 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 C 0.19 W 0.13 K 0.09 R 0.09 Q 0.08 E 0.08 H 0.06 L 0.02 P 0.01 C Shift Assignments>> C :: 177.79 CA :: 59.68 CB :: 28.13 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.38 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V363 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 P 0.17 I 0.16 C 0.14 HN Overlap>> 1.W398 1.W398 C Shift Assignments>> C :: 178.4 CA :: 66.49 CB :: 30.4 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.32 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.25 Ave N Shift Values>> N :: 121.14(4.54) 1.F364 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.16 Y 0.13 F 0.12 C Shift Assignments>> C :: 178.51 CA :: 62.37 CB :: 38.66 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.69 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 113.8 Ave N Shift Values>> N :: 120.45(4.18) 1.S365 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G24 1.G24 C Shift Assignments>> CA :: 60.01 CB :: 62.02 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.35 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.47 Ave N Shift Values>> N :: 116.28(3.52) 1.A366 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.21 C 0.01 C Shift Assignments>> C :: 178.29 CA :: 52.42 CB :: 17.91 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.8 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.65 Ave N Shift Values>> N :: 123.23(3.54) 1.F367 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.27 C 0.19 Y 0.14 E 0.12 F 0.11 D 0.05 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.I138 1.I138 C Shift Assignments>> C :: 173.35(D) CA :: 54.97(D) CB :: 37.53 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.03(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.24(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P368 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S369 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.27 CA :: 57.04 CB :: 64.72 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.86 Ave N Shift Values>> N :: 116.28(3.52) 1.D370 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.26 R 0.13 K 0.11 F 0.05 C 0.04 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.37(D) CA :: 53.47(D) CB :: 42.49(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.17(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.47(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I371 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 C 0.26 Y 0.17 F 0.11 E 0.08 V 0.01 M 0.01 C Shift Assignments>> C :: 174.66 CA :: 60.52 CB :: 37.21 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.54 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.17 Ave N Shift Values>> N :: 121.46(4.28) 1.S372 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 55.95 CB :: 65.76 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.22 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 116.28(3.52) 1.T373 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 V 0.03 I 0.01 C Shift Assignments>> C :: 173.31 CB :: 68.89 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.16 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.24 Ave N Shift Values>> N :: 115.42(4.75) 1.P374 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E375 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 E 0.13 C 0.12 H 0.12 R 0.09 I 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 57.37 CB :: 28.94 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.98 Ave N Shift Values>> N :: 120.67(3.48) 1.I376 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.26 I 0.24 C 0.14 L 0.02 K 0.01 D 0.01 C Shift Assignments>> C :: 174.53(D) CA :: 60.09(D) CB :: 40.22(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.93(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.03(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N377 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.33 L 0.13 C 0.06 F 0.04 Y 0.03 K 0.02 C Shift Assignments>> C :: 174.94 CA :: 51.48 CB :: 40.76 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.58 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.74 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I378 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 I 0.25 C 0.14 L 0.02 K 0.01 C Shift Assignments>> C :: 175.38 CA :: 60.1 CB :: 40.11 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.16 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.11 Ave N Shift Values>> N :: 121.46(4.28) 1.T379 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 :: 64.39 CB :: 68.38 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.74 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 126.53 Ave N Shift Values>> N :: 115.42(4.75) 1.V380 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.14 W 0.11 R 0.11 M 0.1 H 0.08 V 0.08 E 0.07 Q 0.04 C Shift Assignments>> C :: 174.13 CA :: 58.7 CB :: 32.17 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.31 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.21 Ave N Shift Values>> N :: 121.14(4.54) 1.T381 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.67 CA :: 59.94 CB :: 70.93 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.48 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.16 Ave N Shift Values>> N :: 115.42(4.75) 1.E382 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D383 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.17 Y 0.15 L 0.15 N 0.11 C 0.09 K 0.02 I 0.01 C Shift Assignments>> C :: 177.92 CA :: 55.51 CB :: 40.19 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.17 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.51 Ave N Shift Values>> N :: 120.65(3.86) 1.S384 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.89 CA :: 59.28 CB :: 64.1 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.75 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.44 Ave N Shift Values>> N :: 116.28(3.52) 1.K385 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.15 W 0.14 R 0.09 E 0.08 H 0.07 K 0.06 M 0.04 Q 0.03 P 0.03 I 0.02 C Shift Assignments>> C :: 175.79 CA :: 60.25 CB :: 31.22 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.49 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F386 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 C 0.25 Y 0.19 F 0.12 E 0.1 M 0.01 V 0.01 C Shift Assignments>> C :: 178.32 CA :: 60.13 CB :: 37.27 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.57 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.61 Ave N Shift Values>> N :: 120.45(4.18) 1.A387 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.02 C 0.01 C Shift Assignments>> C :: 181.16 CA :: 54.54 CB :: 17.26 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.61 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.43 Ave N Shift Values>> N :: 123.23(3.54) 1.I388 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.2 V 0.06 Y 0.03 F 0.02 HN Overlap>> 1.L452 1.L44 1.L452 1.L44 C Shift Assignments>> C :: 177.37 CA :: 64.83 CB :: 37.12 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.45 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.74 Ave N Shift Values>> N :: 121.46(4.28) 1.I389 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 C 0.33 I 0.07 P 0.04 K 0.02 Q 0.02 E 0.01 M 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.84 CA :: 62.06 CB :: 34.41 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.9 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.58 Ave N Shift Values>> N :: 121.46(4.28) 1.E390 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 I 0.13 K 0.12 E 0.1 Q 0.09 H 0.08 R 0.06 M 0.01 L 0.01 HN Overlap>> 1.Q451 1.Q451 1.R164 1.R164 C Shift Assignments>> C :: 178.89 CA :: 59.29 CB :: 28.65 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.14 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.41 Ave N Shift Values>> N :: 120.67(3.48) 1.A391 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.02 C 0.02 C Shift Assignments>> C :: 180.8 CA :: 54.81 CB :: 17.98 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.96 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.27 Ave N Shift Values>> N :: 123.23(3.54) 1.L392 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.19 F 0.15 D 0.11 Y 0.11 R 0.07 C 0.06 I 0.01 HN Overlap>> 1.Q130 1.Q130 C Shift Assignments>> C :: 178.4 CA :: 56.93 CB :: 41.8 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.32 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.56 Ave N Shift Values>> N :: 121.86(3.9) 1.Q393 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 C 0.14 Q 0.13 K 0.12 W 0.11 E 0.09 H 0.09 I 0.06 L 0.06 M 0.01 C Shift Assignments>> C :: 177.02(D) CA :: 57.75(D) CB :: 27.97(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.09(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.4(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R394 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 P 0.15 M 0.13 R 0.1 V 0.09 K 0.09 H 0.08 W 0.07 E 0.06 Q 0.03 HN Overlap>> 1.E317 1.E317 C Shift Assignments>> CB :: 31.65 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.83 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.49 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D395 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.19 K 0.16 R 0.15 F 0.07 Y 0.04 C 0.04 N 0.01 C Shift Assignments>> C :: 176.7 CA :: 54.96 CB :: 42.42 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.45 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.24 Ave N Shift Values>> N :: 120.65(3.86) 1.A396 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 175.87 CA :: 52.09 CB :: 19.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.03 Ave N Shift Values>> N :: 123.23(3.54) 1.Q397 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.16 K 0.13 C 0.13 R 0.11 W 0.11 E 0.08 M 0.05 L 0.02 C Shift Assignments>> C :: 175.38 CA :: 53.77 CB :: 29.13 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.26 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.44 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W398 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.13 W 0.12 R 0.12 E 0.12 C 0.11 M 0.04 L 0.01 HN Overlap>> 1.V363 1.V363 C Shift Assignments>> C :: 178.48 CA :: 55.67 CB :: 29.38 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.27 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.18 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G399 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.78 CA :: 46.05 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.66 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.45 Ave N Shift Values>> N :: 109.67(3.87) 1.E400 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G401 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.5 CA :: 44.62 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.73 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.68 Ave N Shift Values>> N :: 109.67(3.87) 1.N402 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.25 L 0.07 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.13 CA :: 52.05 CB :: 39.65 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.51 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.21 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I403 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 Y 0.22 F 0.2 C 0.17 C Shift Assignments>> C :: 175.47 CA :: 60.75 CB :: 38.93 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.9 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.78 Ave N Shift Values>> N :: 121.46(4.28) 1.T404 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.61 CA :: 62.05 CB :: 69.9 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.44 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 125.65 Ave N Shift Values>> N :: 115.42(4.75) 1.T405 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L406 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.2 K 0.18 D 0.11 F 0.09 Y 0.06 C 0.05 C Shift Assignments>> C :: 176.31 CA :: 56.25 CB :: 42.54 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.48 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.32 Ave N Shift Values>> N :: 121.86(3.9) 1.D407 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.24 L 0.16 F 0.07 Y 0.06 C 0.06 K 0.03 HN Overlap>> 1.I294 1.I294 C Shift Assignments>> C :: 174.99 CA :: 53.31 CB :: 40.57 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.86 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.08 Ave N Shift Values>> N :: 120.65(3.86) 1.G408 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.41 CA :: 45 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.37 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.02 Ave N Shift Values>> N :: 109.67(3.87) 1.V409 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.4 C 0.28 P 0.09 K 0.05 W 0.03 Q 0.03 M 0.02 R 0.02 H 0.01 I 0.01 C Shift Assignments>> C :: 173.19 CA :: 61.48 CB :: 33.34 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.04 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.28 Ave N Shift Values>> N :: 121.14(4.54) 1.R410 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.17 H 0.14 R 0.13 K 0.1 W 0.08 Q 0.05 E 0.04 P 0.01 C Shift Assignments>> C :: 174.08 CA :: 53.08 CB :: 31.79 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.59 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.7 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V411 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.27 W 0.08 K 0.08 P 0.06 R 0.05 M 0.04 H 0.04 E 0.03 Q 0.02 C Shift Assignments>> C :: 174.25 CA :: 60.58 CB :: 32.4 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.11 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.67 Ave N Shift Values>> N :: 121.14(4.54) 1.D412 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.24 D 0.16 G 0.07 C 0.04 K 0.04 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.01 CA :: 53.85 CB :: 43.34 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.94 Ave N Shift Values>> N :: 120.65(3.86) 1.Y413 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.22 Y 0.19 F 0.13 N 0.05 M 0.05 I 0.05 D 0.01 K 0.01 C Shift Assignments>> C :: 174.41 CA :: 56.73 CB :: 37.22 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.62 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.42 Ave N Shift Values>> N :: 120.52(4.2) 1.P414 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K415 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 C 0.14 R 0.14 H 0.14 K 0.13 W 0.08 E 0.06 Q 0.05 C Shift Assignments>> C :: 175.11(D) CA :: 54.55(D) CB :: 31.9(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.37(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 112.27(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G416 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 170.11 CA :: 46.88 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.38 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.74 Ave N Shift Values>> N :: 109.67(3.87) 1.W417 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 R 0.14 H 0.14 C 0.13 K 0.12 W 0.09 E 0.08 Q 0.07 C Shift Assignments>> C :: 173.48 CA :: 55.34 CB :: 31.61 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.67 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.31 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G418 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.02 CA :: 44.85 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.61 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.98 Ave N Shift Values>> N :: 109.67(3.87) 1.L419 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.08 C 0.06 C Shift Assignments>> C :: 174.18 CA :: 53.07 CB :: 47.04 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.74 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.32 Ave N Shift Values>> N :: 121.86(3.9) 1.V420 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.16 Q 0.12 V 0.12 M 0.11 W 0.05 R 0.05 H 0.04 E 0.02 C Shift Assignments>> C :: 172.55 CA :: 59.08 CB :: 33.33 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.96 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.54 Ave N Shift Values>> N :: 121.14(4.54) 1.R421 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.17 K 0.15 Q 0.11 H 0.1 R 0.1 W 0.05 E 0.03 C Shift Assignments>> C :: 174.04(D) CA :: 53.88(D) CB :: 32.68(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.81(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.17(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A422 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.06 C Shift Assignments>> C :: 177.11(D) CA :: 50.52(D) CB :: 18.46(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.08(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.36(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S423 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.96 CB :: 63.28 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.16 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.21 Ave N Shift Values>> N :: 116.28(3.52) 1.N424 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T425 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T426 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P427 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V428 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.23 I 0.12 Y 0.11 F 0.05 M 0.05 K 0.03 V 0.03 Q 0.01 HN Overlap>> 1.K269 1.K161 1.K269 1.K161 C Shift Assignments>> C :: 175.44 CA :: 59.38 CB :: 36.08 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.84 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.92 Ave N Shift Values>> N :: 121.14(4.54) 1.L429 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.23 R 0.18 G 0.07 K 0.05 C 0.04 F 0.03 N 0.03 Y 0.01 HN Overlap>> 1.A435 1.A435 C Shift Assignments>> C :: 175.21 CA :: 52.56 CB :: 43.02 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.82 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.34 Ave N Shift Values>> N :: 121.86(3.9) 1.V430 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 C 0.28 K 0.09 W 0.07 P 0.05 R 0.04 M 0.04 Q 0.04 H 0.03 E 0.02 HN Overlap>> 1.V103 1.V103 C Shift Assignments>> C :: 176.12 CA :: 60.59 CB :: 32.74 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.12 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.84 Ave N Shift Values>> N :: 121.14(4.54) 1.L431 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 G 0.28 R 0.18 D 0.08 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.27(D) CA :: 54.18(D) CB :: 44.21 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.31(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.52(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R432 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 Q 0.21 K 0.18 C 0.17 R 0.06 H 0.06 W 0.03 E 0.02 V 0.01 C Shift Assignments>> C :: 171.52(D) CA :: 55.52(D) CB :: 33.53 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.25(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.3(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F433 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.24 D 0.14 K 0.11 F 0.06 C 0.04 Y 0.04 G 0.02 N 0.01 HN Overlap>> 1.L134 1.L134 C Shift Assignments>> C :: 173.62 CA :: 55.19 CB :: 42.9 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.14 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.44 Ave N Shift Values>> N :: 120.45(4.18) 1.E434 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.16 C 0.16 Q 0.12 R 0.1 H 0.1 W 0.06 E 0.03 HN Overlap>> 1.D25 1.D25 C Shift Assignments>> C :: 173.7(D) CA :: 54.55(D) CB :: 32.69(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.85(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.64(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A435 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.33 C 0.14 K 0.03 HN Overlap>> 1.L429 1.L429 C Shift Assignments>> C :: 176.34 CA :: 51.2 CB :: 22.89 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.86 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.35 Ave N Shift Values>> N :: 123.23(3.54) 1.D436 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.19 L 0.17 Y 0.16 C 0.08 K 0.07 N 0.06 I 0.02 C Shift Assignments>> C :: 176.75 CA :: 56.05 CB :: 40.59 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.57 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.85 Ave N Shift Values>> N :: 120.65(3.86) 1.T437 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.65 CA :: 58.34 CB :: 73.31 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.31 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.47 Ave N Shift Values>> N :: 115.42(4.75) 1.E438 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 I 0.17 W 0.14 K 0.11 E 0.09 Q 0.09 R 0.07 H 0.07 L 0.01 C Shift Assignments>> C :: 178.59 CA :: 59.48 CB :: 28.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.23 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.42 Ave N Shift Values>> N :: 120.67(3.48) 1.E439 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 I 0.17 W 0.14 K 0.11 E 0.09 Q 0.09 R 0.08 H 0.07 L 0.01 C Shift Assignments>> C :: 179.27 CA :: 59.43 CB :: 28.31 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.69 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 120.67(3.48) 1.E440 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 Q 0.14 C 0.13 K 0.11 W 0.1 H 0.09 E 0.08 L 0.08 I 0.05 M 0.01 C Shift Assignments>> CA :: 57.28 CB :: 27.88 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.72 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.87 Ave N Shift Values>> N :: 120.67(3.48) 1.L441 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 L 0.12 K 0.12 C 0.1 D 0.08 I 0.05 C Shift Assignments>> C :: 178.51 CA :: 57.81 CB :: 40.86 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.04 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.05 Ave N Shift Values>> N :: 121.86(3.9) 1.E442 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 R 0.14 Q 0.12 W 0.11 K 0.11 E 0.09 H 0.08 I 0.07 L 0.06 M 0.01 HN Overlap>> 1.F267 1.F267 C Shift Assignments>> C :: 179.11 CA :: 57.97 CB :: 27.94 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.82 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.23 Ave N Shift Values>> N :: 120.67(3.48) 1.R443 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 E 0.11 I 0.11 K 0.11 Q 0.08 H 0.08 R 0.08 V 0.02 M 0.01 C Shift Assignments>> CA :: 59.58 CB :: 29.25 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.67 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.78 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I444 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.17 V 0.05 Y 0.02 F 0.01 C Shift Assignments>> C :: 178.32 CA :: 65.52 CB :: 37.33 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.21 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.79 Ave N Shift Values>> N :: 121.46(4.28) 1.K445 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.16 W 0.14 R 0.09 E 0.08 K 0.07 H 0.07 M 0.04 Q 0.03 P 0.03 I 0.02 HN Overlap>> 1.Q451 1.R164 1.Q451 1.R164 C Shift Assignments>> CA :: 60.2 CB :: 31.4 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.32 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T446 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.64 CA :: 66.61 CB :: 68.01 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.95 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.03 Ave N Shift Values>> N :: 115.42(4.75) 1.V447 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 C 0.14 H 0.12 W 0.11 E 0.1 P 0.08 M 0.07 V 0.06 K 0.05 Q 0.05 C Shift Assignments>> C :: 179.5 CB :: 31.04 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.86 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.15 Ave N Shift Values>> N :: 121.14(4.54) 1.F448 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.14 Y 0.12 F 0.12 C Shift Assignments>> C :: 177.94 CA :: 62.8 CB :: 39.31 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.48 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.44 Ave N Shift Values>> N :: 120.45(4.18) 1.R449 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 I 0.14 E 0.1 K 0.08 R 0.07 H 0.07 Q 0.06 V 0.03 M 0.01 C Shift Assignments>> CA :: 60.18 CB :: 29.48 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.4 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.33 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N450 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 C 0.21 I 0.16 N 0.12 Y 0.11 F 0.05 M 0.04 K 0.01 V 0.01 C Shift Assignments>> CB :: 36.81 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.32 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.63 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q451 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.2 C 0.15 Q 0.1 K 0.07 W 0.06 H 0.05 I 0.05 E 0.04 HN Overlap>> 1.K445 1.K445 1.E390 1.R164 1.E390 1.R164 C Shift Assignments>> CA :: 57.15 CB :: 26.72 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.22 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.42 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L452 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 I 0.09 L 0.08 K 0.06 D 0.06 HN Overlap>> 1.V147 1.I388 1.V147 1.I388 1.L44 1.L44 C Shift Assignments>> C :: 178.09 CA :: 58.29 CB :: 40.53 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.37 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.76 Ave N Shift Values>> N :: 121.86(3.9) 1.K453 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 C 0.14 H 0.13 W 0.12 E 0.12 M 0.11 K 0.09 Q 0.08 V 0.01 C Shift Assignments>> C :: 178.02 CA :: 57.02 CB :: 31.12 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.79 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.32 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A454 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.44 C 0.01 C Shift Assignments>> C :: 179.67 CA :: 53.56 CB :: 17.25 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.92 Ave N Shift Values>> N :: 123.23(3.54) 1.V455 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 V 0.31 C 0.14 I 0.06 W 0.03 HN Overlap>> 1.K171 1.K171 C Shift Assignments>> C :: 176.65 CA :: 63.65 CB :: 31 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.26 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 121.14(4.54) 1.D456 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.18 F 0.08 Y 0.06 C 0.05 K 0.05 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> C :: 175.69 CA :: 53.77 CB :: 40.77 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.72 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.63 Ave N Shift Values>> N :: 120.65(3.86) 1.S457 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.3 CB :: 62.56 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.59 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.05 Ave N Shift Values>> N :: 116.28(3.52) 1.S458 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.88 CA :: 58.45 CB :: 63.93 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.74 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.38 Ave N Shift Values>> N :: 116.28(3.52) 1.L459 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 K 0.11 N 0.08 R 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 175.5 CA :: 53.01 CB :: 41.98 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.27 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.33 Ave N Shift Values>> N :: 121.86(3.9) 1.P460 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V461 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P462 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F463 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.MG1 Overall Status: Residue type MG not supported. ########################################################################### Overall Results: #Consistent: 348 #Clerical: 114 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 395 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 68 Shift Relative Order (SRO) Results: #Consistent: 463 #Suspicious: 0 C Shift Results: #Consistent: 800 #Duplicate: 279 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 281 #Duplicate: 114 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 281 #Duplicate: 114 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I19 C = 175.9(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.7922e-01 1.I19 CA = 59.06(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.4135e-01 1.I19 CB = 40.4(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.8090e-01 1.I19 H = 7.87(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.4655e-01 1.I19 N = 116.65(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.6108e-01 1.G21 C = 169.45(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.8720e-02 1.G21 CA = 44.78(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.7056e-01 1.G21 H = 8.47(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2947e-01 1.G21 N = 109.29(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2178e-01 1.V22 C = 177.35(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.6255e-01 1.V22 CA = 61.49(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.2660e-01 1.V22 CB = 32.05(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0403e-01 1.V22 H = 7.3(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.3951e-01 1.V22 N = 119.78(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.6451e-01 1.V23 C = 177.51(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.1986e-01 1.V23 CA = 63.5(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.2398e-01 1.V23 CB = 29.52(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.2926e-02 1.V23 H = 9.29(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.3556e-01 1.V23 N = 134.14(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1907e-03 1.G24 C = 172.61(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.0272e-01 1.G24 CA = 44.48(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.1617e-01 1.G24 H = 8.35(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7545e-01 1.G24 N = 116.5(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7588e-02 1.L27 C = 173.97(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.2720e-01 1.L27 CA = 53.39(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9512e-01 1.L27 CB = 43.36(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.7650e-01 1.L27 H = 7.63(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.5597e-01 1.L27 N = 123.42(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8916e-01 1.T28 C = 174.67(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.4112e-01 1.T28 CA = 58.57(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.5876e-01 1.T28 CB = 72.13(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.4091e-01 1.T28 H = 8.05(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.5926e-01 1.T28 N = 115.9(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.1951e-01 1.R37 C = 179.65(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.1048e-01 1.R37 CA = 55.8(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.7455e-01 1.R37 CB = 27.26(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.0138e-02 1.R37 H = 8.03(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3065e-01 1.R37 N = 121.39(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7262e-01 1.C50 C = 173.15(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.8454e-01 1.C50 CA = 58.54(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.4254e-01 1.C50 CB = 27.42(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.9890e-01 1.C50 H = 8.9(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.4654e-01 1.C50 N = 121.36(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.9759e-01 1.V51 C = 174.41(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.2423e-01 1.V51 CA = 59.12(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3867e-01 1.V51 CB = 35.49(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2310e-01 1.V51 H = 7.7(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7854e-01 1.V51 N = 121.58(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2279e-01 1.A52 C = 176.36(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.1706e-01 1.A52 CA = 50.05(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.1862e-01 1.A52 CB = 19.37(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4405e-01 1.A52 H = 8.16(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 1.A52 N = 130.77(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.3176e-02 1.V53 C = 173.3(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.2207e-01 1.V53 CA = 60.47(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8001e-01 1.V53 CB = 35.16(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7461e-01 1.V53 H = 8.69(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5050e-01 1.V53 N = 120.83(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4556e-01 1.G54 CA = 43.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.1708e-01 1.G54 H = 8.3(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6319e-01 1.G54 N = 112.44(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7414e-01 1.L59 C = 178.46(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.5783e-01 1.L59 CA = 57.1(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.8716e-01 1.L59 CB = 40.58(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.5746e-01 1.L59 H = 9.61(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3747e-02 1.L59 N = 123.65(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4625e-01 1.E63 CA = 58.33(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2892e-01 1.E63 CB = 29.09(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.9273e-01 1.E63 H = 7.79(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6006e-01 1.E63 N = 116.7(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5395e-01 1.V65 C = 176.52(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.3572e-01 1.V65 CA = 65.05(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.7073e-01 1.V65 CB = 29.37(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.0505e-02 1.V65 H = 9.23(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6062e-01 1.V65 N = 121.6(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1930e-01 1.K66 C = 179.54(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.4706e-01 1.K66 CA = 58.85(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8779e-01 1.K66 CB = 31.61(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.0738e-01 1.K66 H = 6.91(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2897e-02 1.K66 N = 121.65(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7355e-01 1.G71 C = 174.74(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4353e-01 1.G71 CA = 46.84(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.6616e-01 1.G71 H = 8.49(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0556e-01 1.G71 N = 108.35(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.3304e-01 1.V73 C = 180.26(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.4602e-02 1.V73 CA = 66.55(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5573e-01 1.V73 CB = 30.62(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.3849e-01 1.V73 H = 9(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8928e-01 1.V73 N = 124.69(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.3425e-01 1.D81 C = 177.28(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.1506e-01 1.D81 CA = 52.49(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.7848e-01 1.D81 CB = 40.43(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.8118e-01 1.D81 H = 9.11(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.6780e-01 1.D81 N = 127.43(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9007e-02 1.M84 C = 174.62(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.5542e-01 1.M84 CA = 53.83(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.0658e-01 1.M84 CB = 32.39(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.8881e-01 1.M84 H = 8.23(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.6012e-01 1.M84 N = 126.37(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.8560e-02 1.V89 CA = 64.25(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.3830e-01 1.V89 H = 7.05(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.4206e-02 1.V89 N = 118(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.8917e-01 1.L90 C = 180(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.2846e-01 1.L90 CA = 55.48(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.4759e-01 1.L90 CB = 39.01(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.9205e-02 1.L90 H = 6.99(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6431e-02 1.L90 N = 126.02(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.8612e-01 1.Y92 CA = 61.57(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.7053e-01 1.Y92 CB = 37.62(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.3126e-01 1.Y92 H = 8.29(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.6722e-01 1.Y92 N = 122.93(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.6610e-01 1.A93 C = 177.32(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.4368e-01 1.A93 CA = 55.04(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3726e-01 1.A93 CB = 16.93(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.5570e-01 1.A93 H = 8.45(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7692e-01 1.A93 N = 125.64(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.9600e-01 1.V96 C = 176.96(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.8065e-01 1.V96 CA = 61.35(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9019e-01 1.V96 CB = 31.83(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.1511e-01 1.V96 H = 7.23(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.1363e-01 1.V96 N = 111.67(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6987e-02 1.L97 CA = 53.75(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7998e-01 1.L97 CB = 39.27(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0587e-01 1.L97 H = 7.72(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3268e-01 1.L97 N = 122.45(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7975e-01 1.G99 C = 175.47(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.9473e-01 1.G99 CA = 44.43(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.9236e-01 1.G99 H = 8.04(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.5549e-01 1.G99 N = 105.41(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.7099e-01 1.S101 C = 173.28(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.3594e-01 1.S101 CA = 55.91(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7463e-01 1.S101 CB = 65.51(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.4792e-01 1.S101 H = 6.99(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8783e-02 1.S101 N = 115.93(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2080e-01 1.V103 C = 171.98(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.5392e-02 1.V103 CB = 34.11(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.4074e-01 1.V103 H = 9.18(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8406e-01 1.V103 N = 122.78(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1792e-01 1.M104 CA = 51.88(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.7847e-02 1.M104 H = 8.98(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.3014e-01 1.M104 N = 127.51(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.7670e-02 1.Y114 CA = 57.17(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.0211e-01 1.Y114 CB = 39.74(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.4583e-01 1.Y114 H = 8.1(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.6313e-01 1.Y114 N = 119.3(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.7145e-01 1.N115 C = 172.73(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.5590e-01 1.N115 CA = 51.46(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.6856e-01 1.N115 CB = 41.13(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.4880e-01 1.N115 H = 8.7(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.6771e-01 1.N115 N = 118.91(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.9604e-01 1.I119 H = 8.4(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.5992e-01 1.I119 N = 122.34(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.3710e-01 1.V121 C = 175.71(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.6222e-01 1.V121 CA = 59.52(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.9906e-01 1.V121 H = 9.01(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8254e-01 1.V121 N = 125.48(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3910e-01 1.A122 C = 176.44(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.4164e-01 1.A122 CA = 52.49(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.4270e-01 1.A122 CB = 17.04(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.8170e-01 1.A122 H = 9.05(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5658e-01 1.A122 N = 131.82(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5243e-02 1.G123 CA = 44.6(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.7568e-01 1.G123 H = 7.72(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.4801e-01 1.G123 N = 103.15(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2036e-02 1.L126 C = 176.29(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.2369e-01 1.L126 CA = 55.18(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.3634e-01 1.L126 CB = 41.29(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8744e-01 1.L126 H = 8.44(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4664e-01 1.L126 N = 128.26(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0079e-01 1.A127 C = 177.5(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1029e-01 1.A127 CA = 50.55(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9085e-01 1.A127 CB = 23.22(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.1417e-02 1.A127 H = 8.29(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8076e-01 1.A127 N = 122.53(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4325e-01 1.N128 C = 177.9(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.4176e-01 1.N128 CA = 55.19(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.8013e-01 1.N128 CB = 37.49(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.7767e-01 1.N128 H = 10.3(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.8638e-03 1.N128 N = 119.39(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0912e-01 1.Q132 C = 178.19(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.3499e-01 1.Q132 CB = 26.49(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.3794e-01 1.Q132 H = 7.15(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9746e-02 1.Q132 N = 118.85(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7267e-01 1.R135 CA = 59.13(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.0695e-01 1.R135 CB = 26.72(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.9640e-02 1.R135 H = 6.32(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.6465e-03 1.R135 N = 119.45(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.1373e-01 1.D142 C = 174.7(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.3134e-01 1.D142 CA = 52.05(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.9343e-01 1.D142 H = 8.76(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.3783e-01 1.D142 N = 122.89(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.6170e-01 1.L143 C = 176.01(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2064e-01 1.L143 CA = 51.46(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.0814e-02 1.L143 H = 6.96(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.0719e-02 1.L143 N = 119.43(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3323e-01 1.A144 C = 176.87(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8294e-01 1.A144 CA = 50.96(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.7089e-01 1.A144 CB = 19.99(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.9229e-01 1.A144 H = 8.86(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7133e-01 1.A144 N = 126.2(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.0148e-01 1.V153 C = 173.78(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.3283e-01 1.V153 CA = 60.56(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9979e-01 1.V153 CB = 34.58(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0136e-01 1.V153 H = 8.18(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6959e-01 1.V153 N = 125.56(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3027e-01 1.I155 CA = 58.13(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9411e-01 1.I155 CB = 41.1(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.2142e-01 1.I155 H = 8.67(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.6629e-01 1.I155 N = 126.88(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0539e-01 1.L156 C = 175.24(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.7678e-01 1.L156 CA = 59.34(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0728e-02 1.L156 CB = 38.4(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.7545e-02 1.L156 H = 8.38(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1749e-01 1.L156 N = 126.93(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9360e-01 1.I163 CA = 65.89(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1026e-01 1.I163 H = 7.41(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0075e-01 1.I163 N = 117.31(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.3223e-01 1.D165 CA = 55.52(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.8264e-01 1.D165 CB = 39.58(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.2228e-01 1.D165 H = 8.35(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4502e-01 1.D165 N = 115.83(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.1177e-01 1.V177 C = 172.38(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.8145e-02 1.V177 CA = 60.12(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.0729e-01 1.V177 CB = 33.35(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.2907e-01 1.V177 H = 8.23(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2864e-01 1.V177 N = 128.32(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1376e-01 1.G180 CA = 47.81(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6384e-02 1.G180 H = 10.04(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5192e-03 1.G180 N = 117.06(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6190e-02 1.N181 C = 174.85(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.1449e-01 1.N181 CA = 56.28(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.4499e-01 1.N181 CB = 38.64(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.7640e-01 1.N181 H = 9.17(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.8768e-01 1.N181 N = 106.49(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.0229e-03 1.G182 CA = 44.02(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2094e-01 1.G182 H = 8.5(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9368e-01 1.G182 N = 106.02(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4560e-01 1.V183 C = 176.11(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.9649e-01 1.V183 CA = 62.82(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.0814e-01 1.V183 CB = 32.05(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0403e-01 1.V183 H = 7.89(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5050e-01 1.V183 N = 117.13(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7710e-01 1.G185 C = 173.51(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4814e-01 1.G185 CA = 46.5(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.9078e-01 1.G185 H = 8.28(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3868e-01 1.G185 N = 106.67(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3823e-01 1.I192 C = 178.17(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.2692e-01 1.I192 CA = 65.19(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.8161e-01 1.I192 CB = 36.4(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.6961e-01 1.I192 H = 8.05(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.3519e-01 1.I192 N = 118.93(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.5444e-01 1.I200 C = 173.49(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.1901e-01 1.I200 CA = 56.5(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.6557e-02 1.I200 CB = 37.67(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.3461e-01 1.I200 H = 8.63(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0676e-01 1.I200 N = 131.09(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.4449e-02 1.L202 C = 174.25(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6641e-01 1.L202 CA = 53.06(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2941e-01 1.L202 CB = 44.22(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.0965e-01 1.L202 H = 9.02(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2422e-01 1.L202 N = 127.49(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4885e-01 1.E205 C = 176.41(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.1351e-01 1.E205 CA = 56.05(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4342e-01 1.E205 CB = 28.24(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.0345e-01 1.E205 H = 8.07(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5945e-01 1.E205 N = 121.57(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9593e-01 1.D207 CA = 53.09(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3059e-01 1.D207 H = 8.39(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9030e-01 1.D207 N = 129.08(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8967e-02 1.G208 C = 173.1(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.8212e-01 1.G208 CA = 45.8(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.3701e-01 1.G208 H = 8.88(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9747e-01 1.G208 N = 112.76(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.2461e-01 1.N209 C = 174.89(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.3188e-01 1.N209 CB = 38.56(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.3868e-01 1.N209 H = 8.59(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.9150e-01 1.N209 N = 117.53(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.2829e-01 1.N212 H = 7.75(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.4901e-01 1.N212 N = 117.53(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.2829e-01 1.G218 C = 173.76(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5334e-01 1.G218 CA = 45.03(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1126e-01 1.G218 H = 7.79(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0610e-01 1.G218 N = 105.96(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3773e-01 1.K219 C = 175.14(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.5325e-01 1.K219 CA = 51.62(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5404e-02 1.K219 CB = 32.13(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.1080e-01 1.K219 H = 6.75(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.6395e-02 1.K219 N = 120.96(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.8095e-01 1.D225 C = 178.42(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.4838e-01 1.D225 CA = 56.95(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6558e-01 1.D225 CB = 39.11(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.7457e-01 1.D225 H = 8.59(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.2927e-01 1.D225 N = 122.6(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1343e-01 1.G238 C = 170.34(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.0428e-02 1.G238 CA = 44.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.5090e-01 1.G238 H = 9(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0265e-01 1.G238 N = 111.14(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0406e-01 1.F241 C = 175.77(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.6039e-01 1.F241 CA = 57.1(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.0296e-01 1.F241 CB = 42.49(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.3163e-01 1.F241 H = 7.98(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.9765e-01 1.F241 N = 119.72(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.6136e-01 1.D244 C = 176.43(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.8632e-01 1.D244 CA = 51.55(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.2191e-01 1.D244 CB = 38.64(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6675e-01 1.D244 H = 8.14(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6944e-01 1.D244 N = 112.19(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8400e-02 1.G245 C = 172.76(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.5491e-01 1.G245 CA = 46.09(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8078e-01 1.G245 H = 8.1(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.2345e-01 1.G245 N = 109.76(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8145e-01 1.R247 C = 173.71(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.8350e-01 1.R247 CA = 54.64(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.5649e-01 1.R247 CB = 34.41(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.2629e-02 1.R247 H = 7.73(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0312e-01 1.R247 N = 118.11(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.6479e-01 1.V250 C = 173.79(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.3547e-01 1.V250 CA = 60.77(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4757e-01 1.V250 CB = 34.59(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.9876e-01 1.V250 H = 8.02(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8696e-01 1.V250 N = 122.68(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3445e-01 1.T252 C = 174.72(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.1854e-01 1.T252 CA = 60.41(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.8465e-01 1.T252 CB = 70.44(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.6314e-01 1.T252 H = 8.49(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.8678e-01 1.T252 N = 113.42(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7372e-01 1.I258 C = 175.68(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.2945e-01 1.I258 CA = 56.07(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.8719e-02 1.I258 CB = 33.92(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.9717e-02 1.I258 H = 7.97(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.4847e-01 1.I258 N = 130.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.1146e-02 1.D261 CB = 38.08(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.3917e-02 1.D261 H = 8.53(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0446e-01 1.D261 N = 114.74(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.2575e-01 1.R262 C = 178.51(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.0091e-01 1.R262 CA = 57.87(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.3394e-01 1.R262 CB = 29.01(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.5575e-01 1.R262 H = 7.35(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.4456e-01 1.R262 N = 123.99(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.8603e-01 1.M265 C = 176.19(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.9618e-01 1.M265 CA = 59.74(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.0357e-01 1.M265 CB = 31.05(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.8645e-01 1.M265 H = 7.28(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.0240e-01 1.M265 N = 118.54(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.6416e-01 1.L266 C = 179.41(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.2162e-01 1.L266 CA = 57.53(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6987e-01 1.L266 CB = 41.03(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9597e-01 1.L266 H = 6.66(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5719e-02 1.L266 N = 119.42(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3155e-01 1.A268 C = 178.15(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.4736e-01 1.A268 CA = 54.81(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.9899e-01 1.A268 CB = 17.21(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2531e-01 1.A268 H = 9.37(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1176e-02 1.A268 N = 122.1(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4957e-01 1.V271 C = 179.61(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.5729e-02 1.V271 CA = 66.38(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7379e-01 1.V271 CB = 31.47(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.8149e-01 1.V271 H = 8.68(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6051e-01 1.V271 N = 118.58(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7284e-01 1.S273 CA = 61.82(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.3424e-01 1.S273 H = 7.4(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.3582e-01 1.S273 N = 115.92(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1854e-01 1.N275 C = 169.18(S), Expected = 175.27, Std = 1.7900, ChiSquare = 6.6837e-04 1.I280 C = 174.65(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.3197e-01 1.I280 CA = 57.72(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4664e-01 1.I280 CB = 38.37(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.9759e-01 1.I280 H = 8.03(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.1314e-01 1.I280 N = 121.85(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.2740e-01 1.I281 C = 174.05(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.4850e-01 1.I281 CA = 58.63(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.6616e-01 1.I281 CB = 38.53(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6052e-01 1.I281 H = 7.9(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7628e-01 1.I281 N = 121.85(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.2740e-01 1.D283 C = 177.66(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.7153e-01 1.D283 CA = 52.73(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.3429e-01 1.D283 CB = 43.56(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.8062e-02 1.D283 H = 7.52(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.7318e-01 1.D283 N = 118.14(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.1552e-01 1.I291 C = 177.65(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.4850e-01 1.I291 CA = 65.36(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6174e-01 1.I291 CB = 37.21(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.8207e-01 1.I291 H = 6.82(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.1789e-02 1.I291 N = 118.98(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6229e-01 1.A292 C = 180.61(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7785e-01 1.A292 CA = 53.92(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.9363e-01 1.A292 CB = 17.72(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8086e-01 1.A292 H = 7.08(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1948e-02 1.A292 N = 120.27(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.0307e-01 1.I294 CA = 65.61(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3556e-01 1.I294 CB = 37.23(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.8827e-01 1.I294 H = 7.93(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0676e-01 1.I294 N = 118.16(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.4069e-01 1.S295 CA = 61.25(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.2162e-01 1.S295 H = 7.97(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.9929e-01 1.S295 N = 114.87(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.8874e-01 1.K314 C = 179.58(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.4156e-01 1.K314 CA = 56(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.6587e-01 1.K314 CB = 30.73(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.4715e-01 1.K314 H = 7.53(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.7133e-01 1.K314 N = 121.36(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3447e-01 1.G319 C = 174.68(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6658e-01 1.G319 CA = 45.41(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6429e-01 1.G319 H = 7.8(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1485e-01 1.G319 N = 111.25(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8308e-01 1.A320 C = 177.15(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.8178e-01 1.A320 CA = 52.24(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.4944e-01 1.A320 CB = 18.85(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3033e-01 1.A320 H = 7.37(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6656e-01 1.A320 N = 122.03(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3462e-01 1.L321 CB = 43.05(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.9386e-01 1.L321 H = 7.72(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3268e-01 1.L321 N = 116.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9448e-01 1.A323 C = 175.84(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.7238e-01 1.A323 CA = 49.29(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1842e-02 1.A323 CB = 23.93(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1769e-03 1.A323 H = 8.68(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2371e-01 1.A323 N = 126.72(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2419e-01 1.F331 CA = 55.12(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.4942e-01 1.F331 CB = 40.17(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.3137e-01 1.F331 H = 9.29(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.9647e-01 1.F331 N = 127.44(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.4475e-02 1.R335 C = 174.02(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.3906e-01 1.R335 CA = 58.5(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.5391e-01 1.R335 CB = 27.89(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.2466e-01 1.R335 H = 8.86(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0944e-01 1.R335 N = 122.9(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6824e-01 1.W336 C = 176.46(D), Expected = 176.12, Std = 2.0100, ChiSquare = 8.6568e-01 1.W336 CB = 31.62(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.2313e-01 1.W336 H = 7.77(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.1039e-01 1.W336 N = 122.17(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.0668e-01 1.F337 C = 177.06(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.0987e-01 1.F337 CA = 57.77(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.0399e-01 1.F337 CB = 43.1(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.3674e-01 1.F337 H = 6.36(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.4732e-03 1.F337 N = 119.67(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.5197e-01 1.G338 C = 171.98(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.1474e-01 1.G338 CA = 45.28(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5834e-01 1.G338 H = 8.51(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8184e-01 1.G338 N = 107.84(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3631e-01 1.G342 C = 174.05(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.2372e-01 1.G342 CA = 46.75(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9613e-01 1.G342 H = 8.54(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4664e-01 1.G342 N = 116.36(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3866e-02 1.A347 C = 178.59(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8985e-01 1.A347 CA = 54.8(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0182e-01 1.A347 CB = 16.5(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7019e-01 1.A347 H = 7.74(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4328e-01 1.A347 N = 121.25(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7594e-01 1.R348 CA = 55.07(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.6177e-01 1.R348 CB = 26.65(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.6890e-02 1.R348 H = 8(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.9399e-01 1.R348 N = 117.19(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.2660e-01 1.L350 CA = 57.76(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1504e-01 1.L350 CB = 39.39(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2038e-01 1.L350 H = 8.23(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0000e+00 1.L350 N = 121.33(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.9190e-01 1.I352 C = 179.71(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.4387e-02 1.I352 CA = 65.02(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.0324e-01 1.I352 CB = 38.51(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.5263e-01 1.I352 H = 7.48(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3941e-01 1.I352 N = 120.22(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.7203e-01 1.F367 C = 173.35(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.9825e-01 1.F367 CA = 54.97(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.2623e-01 1.F367 H = 7.03(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.4715e-02 1.F367 N = 118.24(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.9701e-01 1.D370 C = 175.37(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.5615e-01 1.D370 CA = 53.47(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.4785e-01 1.D370 CB = 42.49(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2031e-01 1.D370 H = 8.17(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.0926e-01 1.D370 N = 124.47(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.2235e-01 1.I376 C = 174.53(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.9177e-01 1.I376 CA = 60.09(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.7060e-01 1.I376 CB = 40.22(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.3121e-01 1.I376 H = 8.93(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.3913e-01 1.I376 N = 129.03(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.6945e-02 1.Q393 C = 177.02(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.1578e-01 1.Q393 CA = 57.75(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.8136e-01 1.Q393 CB = 27.97(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.0265e-01 1.Q393 H = 8.09(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.2561e-01 1.Q393 N = 116.4(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.3232e-01 1.K415 C = 175.11(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.4427e-01 1.K415 CA = 54.55(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7531e-01 1.K415 CB = 31.9(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.1707e-01 1.K415 H = 8.37(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.6418e-01 1.K415 N = 112.27(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.9864e-02 1.R421 C = 174.04(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.4301e-01 1.R421 CA = 53.88(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1090e-01 1.R421 CB = 32.68(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.7927e-01 1.R421 H = 8.81(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.5008e-01 1.R421 N = 124.17(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.5979e-01 1.A422 C = 177.11(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.6740e-01 1.A422 CA = 50.52(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8576e-01 1.A422 CB = 18.46(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.6376e-01 1.A422 H = 9.08(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4247e-01 1.A422 N = 125.36(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4738e-01 1.L431 C = 175.27(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.8502e-01 1.L431 CA = 54.18(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9901e-01 1.L431 H = 9.31(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6605e-02 1.L431 N = 128.52(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7693e-02 1.R432 C = 171.52(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.6002e-02 1.R432 CA = 55.52(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.8842e-01 1.R432 H = 7.25(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0460e-01 1.R432 N = 118.3(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9692e-01 1.E434 C = 173.7(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.0403e-01 1.E434 CA = 54.55(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.8505e-01 1.E434 CB = 32.69(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.1920e-01 1.E434 H = 7.85(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1590e-01 1.E434 N = 120.64(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9312e-01