M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.26 L 0.26 K 0.17 R 0.09 F 0.07 N 0.06 Y 0.05 C Shift Assignments>> CA :: 54.24 CB :: 41.84 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.75 HB2 :: 2.82 HB3 :: 2.82 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.42 M 0.02 C Shift Assignments>> C :: 176.47 CA :: 57.36 CB :: 33.58 CG :: 26.26 CD :: 29.65 CE :: 41.76 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.88 HA :: 4.45 HB2 :: 1.73 HB3 :: 2.21 HG2 :: 1.18 HG3 :: 1.51 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.73 HE3 :: 2.89 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.11 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.75 CB :: 68.76 CG2 :: 21.20 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.54 HA :: 3.97 HB :: 4.18 HG2 :: 1.27 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.19 Ave N Shift Values>> N :: 115.7(5.05) N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.21 N 0.13 E 0.12 D 0.09 I 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 177.66 CA :: 56.28 CB :: 38.17 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.55 HB2 :: 2.75 HB3 :: 2.83 HD21 :: 7.07 HD22 :: 7.69 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 111.61 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 G 0.01 A 0.01 C Shift Assignments>> C :: 177.50 CA :: 57.98 CB :: 41.76 CG :: 26.56 CD1 :: 26.51 CD2 :: 22.39 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.07 HA :: 4.07 HB2 :: 1.48 HB3 :: 2.17 HG :: 1.65 HD1 :: 1.14 HD2 :: 0.95 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.69 Ave N Shift Values>> N :: 121.98(4.07) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 A 0.1 N 0.04 L 0.03 D 0.01 C Shift Assignments>> C :: 176.15 CA :: 47.85 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.67 HA2 :: 2.98 HA3 :: 3.73 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.91 Ave N Shift Values>> N :: 109.91(4.29) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.25 K 0.13 Q 0.07 M 0.04 C Shift Assignments>> C :: 179.26 CA :: 59.42 CB :: 29.43 CG :: 35.98 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.04 HA :: 4.07 HB2 :: 2.04 HB3 :: 2.17 HG2 :: 2.25 HG3 :: 2.41 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.23 Ave N Shift Values>> N :: 120.68(3.68) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 K 0.2 R 0.07 G 0.07 HN Overlap>> L16 C Shift Assignments>> C :: 179.05 CA :: 57.48 CB :: 42.87 CD1 :: 26.02 CD2 :: 25.54 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.71 HA :: 4.09 HB2 :: 1.50 HB3 :: 1.84 HG :: 1.66 HD1 :: 0.95 HD2 :: 0.90 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.91 Ave N Shift Values>> N :: 121.98(4.07) I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.31 CA :: 66.16 CB :: 37.68 CG1 :: 30.99 CG2 :: 17.20 CD1 :: 14.42 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.15 HA :: 3.31 HB :: 1.64 HG2 :: 0.68 HG12 :: 0.58 HG13 :: 1.63 HD1 :: 0.42 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.65 Ave N Shift Values>> N :: 121.6(4.72) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 E 0.19 F 0.18 N 0.12 I 0.06 D 0.06 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 178.47 CA :: 56.33 CB :: 37.77 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.76 HA :: 4.29 HB2 :: 2.81 HB3 :: 2.81 HD21 :: 7.54 HD22 :: 6.76 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.01 ND2 :: 112.39 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.32 R 0.13 E 0.1 M 0.04 I 0.03 C Shift Assignments>> C :: 179.37 CA :: 58.93 CB :: 28.38 CG :: 33.45 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.36 HA :: 4.05 HB2 :: 2.16 HB3 :: 2.22 HG2 :: 2.24 HG3 :: 2.53 HE21 :: 6.67 HE22 :: 7.35 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.16 NE2 :: 109.50 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 174.40 CA :: 47.55 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.87 HA2 :: 3.33 HA3 :: 3.54 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.06 Ave N Shift Values>> N :: 109.91(4.29) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.44 G 0.01 C Shift Assignments>> C :: 179.08 CA :: 60.70 CB :: 32.44 CG :: 27.13 CD :: 29.64 CE :: 41.64 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.62 HA :: 3.74 HB2 :: 1.80 HB3 :: 1.85 HG2 :: 1.28 HG3 :: 1.65 HD2 :: 1.56 HD3 :: 1.56 HE2 :: 2.59 HE3 :: 2.74 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.63 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S74 C Shift Assignments>> C :: 176.32 CA :: 61.91 CB :: 62.81 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.91 HA :: 4.24 HB2 :: 3.94 HB3 :: 3.94 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.56 Ave N Shift Values>> N :: 116.3(3.95) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.01 HN Overlap>> L9 C Shift Assignments>> CA :: 57.86 CB :: 41.88 CG :: 26.75 CD1 :: 25.30 CD2 :: 25.30 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.66 HA :: 4.01 HB2 :: 1.19 HB3 :: 1.66 HG :: 1.62 HD1 :: 0.90 HD2 :: 0.90 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.86 Ave N Shift Values>> N :: 121.98(4.07) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.9 R 0.07 G 0.01 C Shift Assignments>> C :: 178.58 CA :: 57.85 CB :: 41.83 CG :: 25.79 CD1 :: 26.11 CD2 :: 24.12 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 3.59 HB2 :: 1.43 HB3 :: 1.76 HG :: 1.50 HD1 :: 0.70 HD2 :: 0.64 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.19 L 0.18 Y 0.15 D 0.1 R 0.08 I 0.03 N 0.01 HN Overlap>> N132 C Shift Assignments>> C :: 178.28 CA :: 57.20 CB :: 41.41 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.75 HA :: 4.38 HB2 :: 2.67 HB3 :: 2.77 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.11 Ave N Shift Values>> N :: 120.73(4.2) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.17 K 0.12 Q 0.1 I 0.06 C Shift Assignments>> C :: 176.52 CA :: 56.81 CB :: 30.37 CG :: 36.00 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.66 HA :: 4.40 HB2 :: 2.00 HB3 :: 2.23 HG2 :: 2.38 HG3 :: 2.38 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.21 Ave N Shift Values>> N :: 120.68(3.68) S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 174.17 CA :: 58.40 CB :: 66.17 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.35 HA :: 4.78 HB2 :: 3.59 HB3 :: 3.90 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.05 Ave N Shift Values>> N :: 116.3(3.95) V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 175.54 CA :: 61.52 CB :: 36.20 CG1 :: 21.04 CG2 :: 21.04 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.95 HA :: 4.38 HB :: 2.07 HG1 :: 0.98 HG2 :: 0.98 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.04 Ave N Shift Values>> N :: 121.02(4.96) E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.39 I 0.02 K 0.01 C Shift Assignments>> CA :: 54.73 CB :: 32.02 CG :: 37.16 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.62 HA :: 5.39 HB2 :: 1.82 HB3 :: 2.00 HG2 :: 2.20 HG3 :: 2.20 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.55 Ave N Shift Values>> N :: 120.68(3.68) G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 176.93 CA :: 46.06 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.64 HA2 :: 3.52 HA3 :: 4.25 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.98 Ave N Shift Values>> N :: 109.91(4.29) F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.18 L 0.18 Y 0.17 D 0.16 R 0.03 N 0.03 I 0.02 C Shift Assignments>> C :: 180.30 CA :: 56.60 CB :: 40.92 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.14 HA :: 4.80 HB2 :: 2.08 HB3 :: 2.93 HD1 :: 6.92 HE1 :: 6.59 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.73 Ave N Shift Values>> N :: 120.69(4.18) N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.35 L 0.11 F 0.06 Y 0.05 K 0.02 HN Overlap>> N127 C Shift Assignments>> C :: 174.60 CA :: 52.30 CB :: 40.34 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.41 HA :: 4.76 HB2 :: 2.34 HB3 :: 2.65 HD21 :: 8.00 HD22 :: 6.97 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.84 ND2 :: 115.34 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> N42 C Shift Assignments>> C :: 177.54 CA :: 65.13 CB :: 30.87 CG1 :: 21.79 CG2 :: 22.40 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.18 HA :: 3.21 HB :: 1.81 HG1 :: 0.88 HG2 :: 0.85 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.08 Ave N Shift Values>> N :: 121.02(4.96) G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 R 0.05 F 0.01 HN Overlap>> Y29 S124 C Shift Assignments>> C :: 173.39 CA :: 45.12 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.69 HA2 :: 3.47 HA3 :: 4.36 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.05 Ave N Shift Values>> N :: 109.91(4.29) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.12 K 0.09 I 0.07 Q 0.01 C Shift Assignments>> C :: 172.81 CA :: 54.79 CB :: 29.91 CG :: 37.25 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.85 HA :: 4.62 HB2 :: 1.77 HB3 :: 1.93 HG2 :: 2.22 HG3 :: 2.22 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.39 Ave N Shift Values>> N :: 120.68(3.68) Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.21 F 0.14 R 0.13 Y 0.11 D 0.1 I 0.01 N 0.01 HN Overlap>> G27 C Shift Assignments>> CA :: 56.87 CB :: 41.87 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.75 HA :: 5.38 HB2 :: 2.32 HB3 :: 2.40 HD1 :: 6.49 HE1 :: 6.63 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.04 Ave N Shift Values>> N :: 120.79(4.69) H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 M 0.2 R 0.16 H 0.13 E 0.12 Q 0.07 V 0.05 I 0.01 C Shift Assignments>> CA :: 57.44 CB :: 32.11 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.73 HA :: 4.43 HB2 :: 2.80 HB3 :: 2.86 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.68 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.91 M 0.08 C Shift Assignments>> C :: 176.65 CA :: 57.63 CB :: 33.23 CG :: 24.57 CD :: 29.41 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 3.98 HB2 :: 1.50 HB3 :: 1.82 HG2 :: 1.31 HG3 :: 1.48 HD2 :: 1.75 HD3 :: 1.75 HE2 :: 2.98 HE3 :: 2.98 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 175.89 CA :: 45.14 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.31 HA2 :: 3.85 HA3 :: 4.46 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.37 Ave N Shift Values>> N :: 109.91(4.29) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.33 L 0.08 V 0.04 T 0.02 I 0.01 C Shift Assignments>> C :: 181.17 CA :: 55.34 CB :: 20.32 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.53 HA :: 4.10 HB :: 1.53 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.14 Ave N Shift Values>> N :: 123.23(3.7) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.17 G 0.06 C Shift Assignments>> C :: 179.63 CA :: 60.94 CB :: 31.05 CG :: 27.47 CD :: 29.17 CE :: 42.49 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.46 HA :: 3.87 HB2 :: 1.74 HB3 :: 1.82 HG2 :: 1.17 HG3 :: 1.84 HD2 :: 1.60 HD3 :: 1.66 HE2 :: 2.88 HE3 :: 3.09 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.77 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 L 0.09 I 0.09 D 0.08 K 0.08 N 0.01 C Shift Assignments>> C :: 178.53 CA :: 57.90 CB :: 40.23 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.20 HA :: 4.28 HB2 :: 2.63 HB3 :: 2.63 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.77 Ave N Shift Values>> N :: 120.73(4.2) G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.02 C Shift Assignments>> C :: 175.76 CA :: 47.31 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.74 HA2 :: 3.87 HA3 :: 3.87 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.50 Ave N Shift Values>> N :: 109.91(4.29) L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 C Shift Assignments>> C :: 178.11 CA :: 57.57 CB :: 41.65 CG :: 26.90 CD1 :: 23.61 CD2 :: 24.58 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.41 HA :: 4.28 HB2 :: 1.33 HB3 :: 1.61 HG :: 1.25 HD1 :: 0.65 HD2 :: -0.04 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.04 Ave N Shift Values>> N :: 121.98(4.07) T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.77 CA :: 67.26 CB :: 69.20 CG2 :: 21.03 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.47 HA :: 4.32 HB :: 3.56 HG2 :: 1.14 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.34 Ave N Shift Values>> N :: 115.7(5.05) V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.59 CA :: 66.46 CB :: 32.37 CG1 :: 20.94 CG2 :: 22.40 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.50 HA :: 3.70 HB :: 2.14 HG1 :: 0.96 HG2 :: 1.11 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.45 Ave N Shift Values>> N :: 121.02(4.96) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.19 I 0.16 Q 0.12 M 0.03 R 0.01 C Shift Assignments>> C :: 179.60 CA :: 58.56 CB :: 29.09 CG :: 35.72 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.02 HA :: 4.13 HB2 :: 1.86 HB3 :: 1.97 HG2 :: 2.36 HG3 :: 2.36 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.62 Ave N Shift Values>> N :: 120.68(3.68) I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.30 CA :: 65.73 CB :: 37.68 CG1 :: 29.66 CG2 :: 18.04 CD1 :: 14.89 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.72 HA :: 3.55 HB :: 1.91 HG2 :: 0.80 HG12 :: 0.80 HG13 :: 1.62 HD1 :: 0.60 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.62 Ave N Shift Values>> N :: 121.6(4.72) N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.2 E 0.17 N 0.11 I 0.07 D 0.06 M 0.03 L 0.02 K 0.01 HN Overlap>> V26 S109 C Shift Assignments>> C :: 178.49 CA :: 56.48 CB :: 37.90 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.25 HA :: 4.51 HB2 :: 2.87 HB3 :: 2.87 HD21 :: 6.85 HD22 :: 7.55 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.10 ND2 :: 110.91 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.23 M 0.03 C Shift Assignments>> C :: 179.34 CA :: 59.76 CB :: 32.76 CG :: 25.30 CD :: 29.65 CE :: 41.54 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.75 HA :: 4.08 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 1.68 HG3 :: 1.68 HD2 :: 1.47 HD3 :: 1.67 HE2 :: 2.88 HE3 :: 2.88 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.20 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.33 V 0.03 L 0.03 I 0.02 T 0.01 C Shift Assignments>> C :: 179.93 CA :: 55.58 CB :: 19.61 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.13 HA :: 4.08 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.92 Ave N Shift Values>> N :: 123.23(3.7) E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 E 0.3 M 0.01 K 0.01 C Shift Assignments>> C :: 180.19 CA :: 60.18 CB :: 30.14 CG :: 38.14 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.09 HA :: 3.92 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.19 HG3 :: 2.42 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.62 Ave N Shift Values>> N :: 120.68(3.68) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.39 K 0.03 M 0.01 C Shift Assignments>> C :: 179.23 CA :: 60.01 CB :: 29.68 CG :: 37.40 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.67 HA :: 4.05 HB2 :: 2.07 HB3 :: 2.21 HG2 :: 2.22 HG3 :: 2.46 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.80 Ave N Shift Values>> N :: 120.68(3.68) V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.65 CA :: 66.44 CB :: 31.59 CG1 :: 21.91 CG2 :: 22.88 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.07 HA :: 3.57 HB :: 2.07 HG1 :: 0.78 HG2 :: 1.12 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.17 Ave N Shift Values>> N :: 121.02(4.96) F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 F 0.26 Y 0.18 K 0.01 C Shift Assignments>> C :: 177.12 CA :: 62.20 CB :: 40.44 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.75 HA :: 3.74 HB2 :: 2.91 HB3 :: 3.14 HD1 :: 7.06 HE1 :: 6.95 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.36 Ave N Shift Values>> N :: 120.69(4.18) N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.27 Y 0.11 F 0.1 L 0.07 E 0.01 HN Overlap>> T108 C Shift Assignments>> C :: 174.68 CA :: 53.81 CB :: 39.27 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.21 HA :: 4.49 HB2 :: 2.73 HB3 :: 2.93 HD21 :: 7.17 HD22 :: 7.52 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.42 ND2 :: 113.25 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.41 M 0.07 G 0.01 C Shift Assignments>> C :: 177.64 CA :: 56.82 CB :: 33.11 CG :: 25.30 CD :: 30.38 CE :: 42.32 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.42 HA :: 4.31 HB2 :: 1.99 HB3 :: 2.11 HG2 :: 1.38 HG3 :: 1.53 HD2 :: 1.55 HD3 :: 1.73 HE2 :: 2.90 HE3 :: 2.90 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.54 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.28 K 0.1 M 0.04 Q 0.04 C Shift Assignments>> C :: 176.96 CA :: 59.50 CB :: 29.72 CG :: 36.19 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.32 HA :: 3.97 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 2.26 HG3 :: 2.29 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 131.41 Ave N Shift Values>> N :: 120.68(3.68) D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.26 Y 0.06 F 0.06 L 0.05 HN Overlap>> S124 C Shift Assignments>> C :: 176.00 CA :: 52.43 CB :: 39.22 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.47 HA :: 4.66 HB2 :: 2.55 HB3 :: 2.84 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.06 Ave N Shift Values>> N :: 120.73(4.2) A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 178.15 CA :: 52.77 CB :: 19.19 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.07 HA :: 4.48 HB :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.38 Ave N Shift Values>> N :: 123.23(3.7) T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.15 CA :: 60.20 CB :: 71.56 CG2 :: 22.15 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.93 HA :: 4.44 HB :: 4.78 HG2 :: 1.37 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.32 Ave N Shift Values>> N :: 115.7(5.05) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.42 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.41 CA :: 60.36 CB :: 29.83 CG :: 36.44 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.02 HA :: 3.90 HB2 :: 2.02 HB3 :: 2.10 HG2 :: 2.29 HG3 :: 2.36 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.08 Ave N Shift Values>> N :: 120.68(3.68) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.44 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.87 CA :: 60.20 CB :: 29.67 CG :: 36.79 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.60 HA :: 4.07 HB2 :: 1.96 HB3 :: 2.08 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.99 Ave N Shift Values>> N :: 120.68(3.68) E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.39 M 0.05 K 0.03 C Shift Assignments>> C :: 180.00 CA :: 59.94 CB :: 30.42 CG :: 36.90 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.83 HA :: 3.94 HB2 :: 1.93 HB3 :: 2.38 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.85 Ave N Shift Values>> N :: 120.68(3.68) I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> L60 C Shift Assignments>> C :: 177.29 CA :: 65.25 CB :: 38.28 CG1 :: 29.70 CG2 :: 17.85 CD1 :: 14.04 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.34 HA :: 3.53 HB :: 1.93 HG2 :: 0.94 HG12 :: 0.68 HG13 :: 1.67 HD1 :: 0.68 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.23 Ave N Shift Values>> N :: 121.6(4.72) N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.24 E 0.11 N 0.08 I 0.08 D 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 178.22 CA :: 56.76 CB :: 38.34 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.53 HA :: 4.48 HB2 :: 2.86 HB3 :: 2.86 HD21 :: 7.00 HD22 :: 7.60 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.68 ND2 :: 112.31 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.01 HN Overlap>> I58 C Shift Assignments>> C :: 179.76 CA :: 58.11 CB :: 41.81 CG :: 27.21 CD1 :: 24.81 CD2 :: 23.80 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.42 HA :: 4.18 HB2 :: 1.66 HB3 :: 1.79 HG :: 1.77 HD1 :: 0.89 HD2 :: 0.91 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.23 Ave N Shift Values>> N :: 121.98(4.07) A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.02 V 0.01 C Shift Assignments>> C :: 179.85 CA :: 54.90 CB :: 18.79 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.04 HA :: 4.30 HB :: 1.56 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.84 Ave N Shift Values>> N :: 123.23(3.7) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.14 M 0.03 C Shift Assignments>> C :: 177.74 CA :: 60.38 CB :: 32.72 CG :: 24.73 CD :: 29.37 CE :: 41.46 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.49 HA :: 3.76 HB2 :: 1.91 HB3 :: 2.15 HG2 :: 1.34 HG3 :: 1.53 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.89 HE3 :: 2.89 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.84 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.36 K 0.06 M 0.04 Q 0.01 C Shift Assignments>> C :: 180.50 CA :: 59.83 CB :: 29.94 CG :: 36.58 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.30 HA :: 4.10 HB2 :: 1.91 HB3 :: 2.13 HG2 :: 2.25 HG3 :: 2.46 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.14 Ave N Shift Values>> N :: 120.68(3.68) S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.67 CA :: 61.63 CB :: 63.19 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.61 HA :: 4.24 HB2 :: 4.00 HB3 :: 4.01 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.37 Ave N Shift Values>> N :: 116.3(3.95) L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 V 0.01 C Shift Assignments>> C :: 178.24 CA :: 57.99 CB :: 40.83 CG :: 27.25 CD1 :: 23.51 CD2 :: 23.51 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.38 HA :: 4.26 HB2 :: 1.52 HB3 :: 1.92 HD1 :: 0.78 HD2 :: 0.66 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.74 Ave N Shift Values>> N :: 121.98(4.07) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 E 0.28 K 0.02 C Shift Assignments>> C :: 180.79 CA :: 60.78 CB :: 29.16 CG :: 37.26 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.90 HA :: 3.90 HB2 :: 2.02 HB3 :: 2.27 HG2 :: 2.23 HG3 :: 2.47 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.11 Ave N Shift Values>> N :: 120.68(3.68) G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 176.21 CA :: 47.41 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.12 HA2 :: 3.99 HA3 :: 3.99 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.98 Ave N Shift Values>> N :: 109.91(4.29) A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 181.18 CA :: 54.98 CB :: 19.44 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.23 HA :: 4.25 HB :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.32 Ave N Shift Values>> N :: 123.23(3.7) I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.76 CA :: 66.28 CB :: 38.54 CG1 :: 31.01 CG2 :: 16.63 CD1 :: 13.69 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.75 HA :: 3.56 HB :: 1.84 HG2 :: 0.88 HG12 :: 0.64 HG13 :: 1.73 HD1 :: 0.72 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.54 Ave N Shift Values>> N :: 121.6(4.72) A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.27 I 0.06 C Shift Assignments>> C :: 181.35 CA :: 55.68 CB :: 17.83 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.86 HA :: 4.28 HB :: 1.56 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.39 Ave N Shift Values>> N :: 123.23(3.7) R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.15 G 0.08 L 0.02 C Shift Assignments>> C :: 179.08 CA :: 59.32 CB :: 29.41 CG :: 27.96 CD :: 42.98 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.30 HA :: 4.05 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 1.48 HG3 :: 1.56 HD2 :: 3.21 HD3 :: 3.21 HE :: 7.50 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.85 NE :: 114.58 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 F 0.2 Y 0.14 C Shift Assignments>> C :: 177.40 CA :: 62.87 CB :: 39.78 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.45 HA :: 4.09 HB2 :: 3.00 HB3 :: 3.31 HD1 :: 6.90 HE1 :: 6.54 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.13 Ave N Shift Values>> N :: 120.69(4.18) N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.19 N 0.16 E 0.13 D 0.09 I 0.05 M 0.02 L 0.02 C Shift Assignments>> C :: 178.10 CA :: 56.04 CB :: 38.06 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.75 HA :: 4.67 HB2 :: 2.91 HB3 :: 2.97 HD21 :: 6.54 HD22 :: 7.48 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.67 ND2 :: 110.91 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S15 C Shift Assignments>> C :: 174.19 CA :: 60.39 CB :: 63.18 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.96 HA :: 4.57 HB2 :: 4.05 HB3 :: 4.13 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.63 Ave N Shift Values>> N :: 116.3(3.95) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 K 0.26 A 0.02 C Shift Assignments>> C :: 173.61 CA :: 54.79 CB :: 40.99 CD1 :: 26.51 CD2 :: 23.70 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.87 HA :: 4.61 HB2 :: 1.85 HB3 :: 2.11 HG :: 1.53 HD1 :: 0.86 HD2 :: 0.78 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.77 Ave N Shift Values>> N :: 121.98(4.07) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 A 0.13 R 0.11 G 0.02 C Shift Assignments>> C :: 176.92 CA :: 54.87 CB :: 42.23 CG :: 26.51 CD1 :: 26.51 CD2 :: 22.15 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.77 HA :: 3.12 HB2 :: 1.14 HB3 :: 1.54 HG :: 0.97 HD1 :: 0.75 HD2 :: 0.18 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.82 Ave N Shift Values>> N :: 121.98(4.07) I77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.55 CA :: 63.20 CB :: 36.75 CG1 :: 28.93 CG2 :: 19.08 CD1 :: 14.76 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.02 HA :: 3.65 HB :: 1.79 HG2 :: 0.77 HG12 :: -0.05(S) HG13 :: 1.11 HD1 :: 0.42 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 131.18 Ave N Shift Values>> N :: 121.6(4.72) E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 E 0.41 Q 0.01 I 0.01 C Shift Assignments>> C :: 177.29 CA :: 54.65 CB :: 33.02 CG :: 36.61 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.09 HA :: 4.78 HB2 :: 1.94 HB3 :: 2.28 HG2 :: 2.06 HG3 :: 2.12 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.86 Ave N Shift Values>> N :: 120.68(3.68) E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 I 0.4 K 0.1 Q 0.04 M 0.01 C Shift Assignments>> C :: 177.59 CA :: 60.35 CB :: 29.14 CG :: 36.04 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.40 HA :: 3.88 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.29 HG3 :: 2.29 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.31 Ave N Shift Values>> N :: 120.68(3.68) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.90 CA :: 58.11 CB :: 63.86 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.90 HA :: 4.38 HB2 :: 3.85 HB3 :: 4.11 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 107.58 Ave N Shift Values>> N :: 116.3(3.95) T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.56 CA :: 65.18 CB :: 67.76 CG2 :: 23.84 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.65 HA :: 3.91 HB :: 4.34 HG2 :: 1.29 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.16 Ave N Shift Values>> N :: 115.7(5.05) G82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.32 R 0.28 L 0.28 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.44 CA :: 44.13 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.05 HA2 :: 2.55(S) HA3 :: 3.96 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.72 Ave N Shift Values>> N :: 109.91(4.29) D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.2 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 178.31 CA :: 51.66 CB :: 38.76 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.46 HA :: 4.74 HB2 :: 2.07 HB3 :: 2.79 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.70 Ave N Shift Values>> N :: 120.73(4.2) F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.33 I 0.21 L 0.03 D 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 177.92 CA :: 59.04 CB :: 39.52 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.88 HA :: 4.56 HB2 :: 2.95 HB3 :: 3.40 HD1 :: 7.41 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.55 Ave N Shift Values>> N :: 120.69(4.18) N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 D 0.06 Y 0.05 M 0.04 E 0.04 F 0.03 C Shift Assignments>> C :: 177.06 CA :: 51.70 CB :: 37.10 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.95 HA :: 4.70 HB2 :: 2.71 HB3 :: 3.37 HD21 :: 7.82 HD22 :: 7.98 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.82 ND2 :: 113.84 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 A 0.12 N 0.05 L 0.03 D 0.01 C Shift Assignments>> C :: 174.85 CA :: 47.94 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.61 HA2 :: 3.84 HA3 :: 3.84 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.98 Ave N Shift Values>> N :: 109.91(4.29) N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.13 Y 0.06 F 0.04 E 0.01 L 0.01 M 0.01 HN Overlap>> S109 C Shift Assignments>> C :: 176.92 CA :: 52.01 CB :: 38.04 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.30 HA :: 4.77 HB2 :: 2.62 HB3 :: 3.29 HD21 :: 7.97 HD22 :: 7.04 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.98 ND2 :: 113.25 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 173.21 CA :: 45.96 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.25 HA2 :: 3.58 HA3 :: 4.11 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.20 Ave N Shift Values>> N :: 109.91(4.29) K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.13 A 0.09 M 0.08 G 0.05 C Shift Assignments>> C :: 174.58 CA :: 53.96 CB :: 35.76 CG :: 23.36 CD :: 29.14 CE :: 42.25 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.45 HA :: 4.76 HB2 :: 1.62 HB3 :: 1.79 HG2 :: 1.15 HG3 :: 1.15 HD2 :: 1.58 HD3 :: 1.58 HE2 :: 2.87 HE3 :: 2.87 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.67 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 M 0.12 A 0.07 V 0.03 C Shift Assignments>> C :: 174.88 CA :: 59.40 CB :: 34.74 CG1 :: 27.23 CG2 :: 19.48 CD1 :: 9.79 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.72 HA :: 4.82 HB :: 1.80 HG2 :: 0.91 HG12 :: 1.16 HG13 :: 1.46 HD1 :: 0.55 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.32 Ave N Shift Values>> N :: 121.6(4.72) D91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 176.53 CA :: 53.18 CB :: 46.44(S) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.81 HA :: 5.06 HB2 :: 2.40 HB3 :: 2.91 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.04 Ave N Shift Values>> N :: 120.73(4.2) I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.24 CA :: 63.80 CB :: 38.37 CG1 :: 27.23 CG2 :: 18.51 CD1 :: 14.40 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.84 HA :: 4.04 HB :: 2.01 HG2 :: 1.05 HG12 :: 1.36 HG13 :: 1.51 HD1 :: 0.91 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.76 Ave N Shift Values>> N :: 121.6(4.72) G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 177.05 CA :: 47.14 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.33 HA2 :: 3.69 HA3 :: 4.03 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.82 Ave N Shift Values>> N :: 109.91(4.29) D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 K 0.18 L 0.12 I 0.07 D 0.07 R 0.04 C Shift Assignments>> C :: 178.40 CA :: 58.10 CB :: 40.99 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.82 HA :: 4.72 HB2 :: 3.25 HB3 :: 3.39 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.93 Ave N Shift Values>> N :: 120.73(4.2) L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.13 K 0.01 HN Overlap>> L110 C Shift Assignments>> C :: 176.56 CA :: 55.17 CB :: 41.52 CG :: 27.23 CD1 :: 26.02 CD2 :: 26.02 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.13 HA :: 4.09 HB2 :: 1.43 HB3 :: 2.21 HG :: 1.50 HD1 :: 0.91 HD2 :: 0.91 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.91 Ave N Shift Values>> N :: 121.98(4.07) A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 L 0.01 C Shift Assignments>> CA :: 52.59 CB :: 19.81 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.37 HA :: 4.09 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.39 Ave N Shift Values>> N :: 123.23(3.7) M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.02 C Shift Assignments>> CA :: 60.43 CB :: 32.27 CG :: 32.27 CE :: 17.31 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.64 HA :: 4.04 HB2 :: 2.07 HB3 :: 2.33 HG2 :: 2.49 HG3 :: 2.80 HE :: 2.02 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.94 Ave N Shift Values>> N :: 120.1(3.88) V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.50 CA :: 66.27 CB :: 31.67 CG1 :: 22.84 CG2 :: 24.09 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.62 HA :: 3.65 HB :: 2.27 HG1 :: 0.98 HG2 :: 1.17 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.24 Ave N Shift Values>> N :: 121.02(4.96) S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.34 CA :: 62.60 CB :: 62.60 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.46 HA :: 4.03 HB2 :: 3.83 HB3 :: 3.94 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.20 Ave N Shift Values>> N :: 116.3(3.95) K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.23 M 0.05 C Shift Assignments>> C :: 176.32 CA :: 57.22 CB :: 32.87 CG :: 24.85 CD :: 29.26 CE :: 41.69 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.63 HA :: 4.19 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.52 HG3 :: 1.52 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.87 HE3 :: 2.92 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.17 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.14 N 0.09 R 0.07 F 0.06 Y 0.04 C Shift Assignments>> C :: 173.58 CA :: 53.41 CB :: 41.82 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.61 HA :: 4.83 HB2 :: 2.34 HB3 :: 2.88 HD21 :: 7.79 HD22 :: 7.20 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.54 ND2 :: 116.54 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.48 CA :: 62.52 CB :: 37.67 CG1 :: 27.71 CG2 :: 17.54 CD1 :: 12.70 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.04 HA :: 3.79 HB :: 1.86 HG2 :: 0.97 HG12 :: 1.37 HG13 :: 1.68 HD1 :: 0.78 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.97 Ave N Shift Values>> N :: 121.6(4.72) G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 174.57 CA :: 45.07 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.90 HA2 :: 3.88 HA3 :: 4.39 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.04 Ave N Shift Values>> N :: 109.91(4.29) S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.43 CA :: 58.61 CB :: 64.15 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.24 HA :: 4.53 HB2 :: 3.90 HB3 :: 4.04 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.23 Ave N Shift Values>> N :: 116.3(3.95) T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.26 CA :: 61.80 CB :: 69.35 CG2 :: 21.48 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.64 HA :: 4.64 HB :: 4.40 HG2 :: 1.15 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.34 Ave N Shift Values>> N :: 115.7(5.05) T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.35 CA :: 61.59 CB :: 69.47 CG2 :: 21.64 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.05 HA :: 4.44 HB :: 4.36 HG2 :: 1.14 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.05 Ave N Shift Values>> N :: 115.7(5.05) N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.14 Y 0.08 F 0.06 E 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 177.88 CA :: 52.71 CB :: 38.05 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.21 HA :: 4.88 HB2 :: 2.48 HB3 :: 2.79 HD21 :: 7.33 HD22 :: 6.82 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.72 ND2 :: 111.14 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> N49 C Shift Assignments>> C :: 176.54 CA :: 64.06 CB :: 68.65 CG2 :: 21.64 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.16 HA :: 4.01 HB :: 4.32 HG2 :: 1.21 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.52 Ave N Shift Values>> N :: 115.7(5.05) S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> N42 N87 C Shift Assignments>> C :: 174.96 CA :: 61.55 CB :: 62.74 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.30 HA :: 4.23 HB2 :: 3.92 HB3 :: 3.92 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.02 Ave N Shift Values>> N :: 116.3(3.95) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.16 A 0.09 G 0.02 HN Overlap>> L95 C Shift Assignments>> C :: 173.73 CA :: 54.86 CB :: 42.29 CG :: 27.24 CD1 :: 25.79 CD2 :: 22.40 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.08 HA :: 4.00 HB2 :: 1.23 HB3 :: 1.23 HG :: 0.89 HD1 :: 0.47 HD2 :: -0.12 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.91 Ave N Shift Values>> N :: 121.98(4.07) D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.32 L 0.07 F 0.05 Y 0.05 C Shift Assignments>> C :: 177.50 CA :: 51.76 CB :: 39.82 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.69 HA :: 4.58 HB2 :: 2.17 HB3 :: 2.91 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.60 Ave N Shift Values>> N :: 120.73(4.2) L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.39 R 0.11 C Shift Assignments>> C :: 176.53 CA :: 57.08 CB :: 44.44 CG :: 26.51 CD1 :: 26.76 CD2 :: 23.36 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.89 HA :: 3.91 HB2 :: 0.74 HB3 :: 1.57 HG :: 2.11 HD1 :: 0.67 HD2 :: 0.91 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.55 Ave N Shift Values>> N :: 121.98(4.07) N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 M 0.2 E 0.07 K 0.05 Y 0.04 Q 0.04 F 0.01 D 0.01 H 0.01 C Shift Assignments>> C :: 175.75 CA :: 51.40 CB :: 35.71 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.69 HA :: 3.95 HB2 :: 1.81 HB3 :: 2.85 HD21 :: 7.48 HD22 :: 6.45 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 109.39 ND2 :: 114.50 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.25 G 0.07 L 0.06 C Shift Assignments>> C :: 175.54 CA :: 57.15 CB :: 28.98 CG :: 24.73 CD :: 28.93 CE :: 42.98 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.15 HA :: 3.77 HB2 :: 1.80 HB3 :: 1.80 HG2 :: 1.19 HG3 :: 1.19 HD2 :: 1.41 HD3 :: 1.58 HE2 :: 2.91 HE3 :: 3.01 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.78 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.21 L 0.18 K 0.08 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 177.90 CA :: 52.81 CB :: 41.03 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.26 HA :: 4.64 HB2 :: 2.24 HB3 :: 2.98 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.33 Ave N Shift Values>> N :: 120.73(4.2) G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 174.18 CA :: 45.44 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.33 HA2 :: 3.49 HA3 :: 4.24 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.59 Ave N Shift Values>> N :: 109.91(4.29) S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 173.22 CA :: 56.60 CB :: 65.97 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.64 HA :: 4.99 HB2 :: 3.46 HB3 :: 3.54 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.94 Ave N Shift Values>> N :: 116.3(3.95) I118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 V 0.09 M 0.04 C Shift Assignments>> C :: 174.77 CA :: 60.55 CB :: 36.37 CG1 :: 27.23 CG2 :: 22.87(S) CD1 :: 13.91 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.32 HA :: 4.37 HB :: 2.17 HG2 :: 0.98 HG12 :: 0.98 HG13 :: 1.27 HD1 :: 0.76 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 131.87 Ave N Shift Values>> N :: 121.6(4.72) D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.12 K 0.12 F 0.06 Y 0.05 R 0.04 C Shift Assignments>> C :: 174.76 CA :: 53.32 CB :: 41.48 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.22 HA :: 4.75 HB2 :: 2.73 HB3 :: 3.25 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 130.48 Ave N Shift Values>> N :: 120.73(4.2) E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.36 K 0.08 M 0.02 Q 0.02 C Shift Assignments>> C :: 178.30 CA :: 59.48 CB :: 29.43 CG :: 36.62 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.54 HA :: 3.98 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.37 HG3 :: 2.37 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.32 Ave N Shift Values>> N :: 120.68(3.68) Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 Y 0.09 F 0.08 V 0.03 E 0.01 C Shift Assignments>> C :: 177.11 CA :: 63.61 CB :: 37.70 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.11 HA :: 4.18 HB2 :: 3.03 HB3 :: 3.26 HD1 :: 7.01 HE1 :: 6.68 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.10 Ave N Shift Values>> N :: 120.79(4.69) E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 E 0.06 K 0.01 C Shift Assignments>> C :: 178.47 CA :: 63.66 CB :: 29.17 CG :: 36.19 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.01 HA :: 3.77 HB2 :: 1.92 HB3 :: 2.70 HG2 :: 2.17 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.01 Ave N Shift Values>> N :: 120.68(3.68) I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.44 CA :: 63.96 CB :: 37.65 CG1 :: 27.96 CG2 :: 17.34 CD1 :: 11.97 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.30 HA :: 3.54 HB :: 1.94 HG2 :: 0.88 HG12 :: 1.26 HG13 :: 1.51 HD1 :: 0.75 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.14 Ave N Shift Values>> N :: 121.6(4.72) S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> G27 D52 C Shift Assignments>> C :: 176.92 CA :: 62.56 CB :: 62.56 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.58 HA :: 4.17 HB2 :: 3.98 HB3 :: 4.07 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.06 Ave N Shift Values>> N :: 116.3(3.95) F125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 F 0.22 Y 0.19 C Shift Assignments>> C :: 176.33 CA :: 62.05 CB :: 39.26 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.75 HA :: 3.56 HB2 :: 2.69 HB3 :: 3.05 HD1 :: 7.24 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.16 Ave N Shift Values>> N :: 120.69(4.18) I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.99 CA :: 62.56 CB :: 35.68 CG1 :: 27.58 CG2 :: 18.60 CD1 :: 13.15 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.95 HA :: 3.55 HB :: 2.17 HG2 :: 0.88 HG12 :: 1.63 HG13 :: 2.14 HD1 :: 1.02 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.16 Ave N Shift Values>> N :: 121.6(4.72) N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.27 D 0.1 I 0.08 N 0.08 E 0.06 L 0.04 M 0.01 HN Overlap>> N25 C Shift Assignments>> C :: 177.61 CA :: 56.81 CB :: 38.74 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.46 HA :: 4.33 HB2 :: 2.49 HB3 :: 2.71 HD21 :: 7.17 HD22 :: 7.17 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.89 ND2 :: 111.14 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 E 0.14 K 0.12 R 0.09 Q 0.09 H 0.09 V 0.05 M 0.01 C Shift Assignments>> C :: 177.71 CA :: 60.49 CB :: 28.89 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.08 HA :: 3.88 HB2 :: 2.62 HB3 :: 2.66 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.35 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 L 0.23 R 0.2 C Shift Assignments>> CA :: 57.41 CB :: 28.98 CG :: 26.75 CD :: 40.55 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.58 HA :: 4.02 HB2 :: 1.68 HB3 :: 1.79 HG2 :: 1.18 HG3 :: 1.18 HD2 :: 3.16 HD3 :: 3.16 HE :: 7.68 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.45 NE :: 113.25 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.92 K 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 178.09 CA :: 56.60 CB :: 41.97 CD1 :: 24.82 CD2 :: 22.88 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 4.07 HB2 :: 1.43 HB3 :: 1.62 HD1 :: 0.77 HD2 :: 0.78 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.22 Y 0.15 F 0.12 L 0.05 E 0.02 I 0.01 HN Overlap>> D18 C Shift Assignments>> C :: 175.75 CA :: 54.29 CB :: 38.82 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.83 HA :: 4.54 HB2 :: 2.59 HB3 :: 2.79 HD21 :: 6.82 HD22 :: 7.40 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.05 ND2 :: 112.55 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 K 0.07 G 0.03 A 0.01 C Shift Assignments>> C :: 178.03 CA :: 56.32 CB :: 42.34 CD1 :: 25.30 CD2 :: 23.22 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.81 HA :: 4.19 HB2 :: 1.53 HB3 :: 1.67 HD1 :: 0.90 HD2 :: 0.86 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.98 Ave N Shift Values>> N :: 121.98(4.07) E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.14 K 0.13 I 0.08 Q 0.08 C Shift Assignments>> CA :: 56.99 CB :: 30.14 CG :: 36.19 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.11 HA :: 4.19 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 2.12 HG3 :: 2.23 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.71 Ave N Shift Values>> N :: 120.68(3.68) H135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.2 R 0.19 E 0.17 Q 0.17 K 0.11 M 0.09 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.23 CB :: 30.19 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 E 0.19 H 0.18 Q 0.15 M 0.1 K 0.09 I 0.02 V 0.02 C Shift Assignments>> CA :: 57.21 CB :: 30.55 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.05 HA :: 4.43 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.39 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 136 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 134 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 140 #Suspicious: 0 C Shift Results: #Consistent: 517 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 732 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: I77 HG12 = -0.05(S), Expected = 1.30, Std = 0.4000, ChiSquare = 7.3816e-04 G82 HA2 = 2.55(S), Expected = 3.95, Std = 0.4000, ChiSquare = 4.6526e-04 D91 CB = 46.44(S), Expected = 40.70, Std = 1.6700, ChiSquare = 5.8792e-04 I118 CG2 = 22.87(S), Expected = 17.36, Std = 1.6000, ChiSquare = 5.7371e-04