M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P4 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.1 K 0.09 Q 0.09 C 0.08 H 0.08 E 0.08 W 0.07 M 0.07 Y 0.06 F 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> C :: 174.5 CA :: 56.9(S) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 T 0.11 V 0.11 F 0.09 S 0.08 C 0.08 Y 0.08 W 0.07 E 0.03 R 0.03 K 0.02 H 0.02 Q 0.01 P 0.01 M 0.01 C Shift Assignments>> C :: 174.8 CA :: 60.4 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 :: 8.79 HA :: 5.71 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 :: 114.4 Ave N Shift Values>> N :: 115.7(5.05) V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 W 0.09 C 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 HN Overlap>> S21 C Shift Assignments>> C :: 173.1 CA :: 58.5 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.72 HA :: 5.31 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 121.02(4.96) F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.13 L 0.11 M 0.09 H 0.08 C 0.07 N 0.07 Q 0.06 A 0.06 R 0.06 K 0.06 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 HN Overlap>> N106 C Shift Assignments>> C :: 172 CA :: 54.9 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.96 HA :: 5.88 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 120.69(4.18) F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.26 N 0.23 D 0.13 L 0.06 C 0.05 M 0.05 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 174.4 CA :: 53 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.54 HA :: 5.32 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117 Ave N Shift Values>> N :: 120.69(4.18) D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.11 L 0.1 A 0.09 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 Y 0.03 E 0.03 F 0.02 C Shift Assignments>> C :: 176.6 CA :: 54.4 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.27 HA :: 5.52 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 :: 123.7 Ave N Shift Values>> N :: 120.73(4.2) I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 C 0.1 Y 0.09 E 0.09 F 0.08 R 0.08 K 0.07 S 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 175.4 CA :: 57.7 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 :: 9.06 HA :: 5.2 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 :: 123.7 Ave N Shift Values>> N :: 121.6(4.72) A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.62 A 0.14 N 0.09 D 0.04 C 0.03 L 0.01 M 0.01 H 0.01 C Shift Assignments>> C :: 174.2 CA :: 50.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.65 HA :: 5.15 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.9 Ave N Shift Values>> N :: 123.23(3.7) V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.12 F 0.1 S 0.1 T 0.09 V 0.09 C 0.09 Y 0.09 W 0.07 E 0.04 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 175.9 CA :: 60.1 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 :: 8.93 HA :: 4.5 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 :: 117.8 Ave N Shift Values>> N :: 121.02(4.96) D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.1 N 0.1 A 0.08 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 W 0.03 E 0.03 Y 0.03 F 0.02 C Shift Assignments>> C :: 175.2 CA :: 54.5 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.87 HA :: 4.32 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 :: 130.4 Ave N Shift Values>> N :: 120.73(4.2) G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 173.1 CA :: 45 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.58 HA2 :: 3.41 HA3 :: 4.19 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.1 Ave N Shift Values>> N :: 109.91(4.29) E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.28 N 0.24 D 0.12 L 0.05 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.01 Y 0.01 F 0.01 P 0.01 C Shift Assignments>> CA :: 52.5 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 :: 8.06 HA :: 4.78 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.9 Ave N Shift Values>> N :: 120.68(3.68) P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 V 0.2 P 0.19 T 0.15 I 0.12 C 0.01 C Shift Assignments>> C :: 175.4 CA :: 64.4 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 D 0.1 M 0.09 H 0.09 Q 0.07 C 0.07 R 0.06 K 0.06 N 0.05 W 0.04 A 0.04 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 175.3 CA :: 55.2 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.19 HA :: 4.7 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 :: 125.6 Ave N Shift Values>> N :: 121.98(4.07) G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 169.4 CA :: 44.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.24 HA2 :: 3.95 HA3 :: 4.21 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.6 Ave N Shift Values>> N :: 109.91(4.29) R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.15 L 0.11 M 0.08 N 0.08 H 0.08 A 0.07 C 0.06 Q 0.06 R 0.05 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 174.4 CA :: 54.7 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.39 HA :: 5.63 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.11 F 0.11 Y 0.1 C 0.09 W 0.08 I 0.08 T 0.06 V 0.06 E 0.05 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 173.2 CA :: 59.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.39 HA :: 4.58 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 :: 126.3 Ave N Shift Values>> N :: 121.02(4.96) S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.11 D 0.11 M 0.09 H 0.08 C 0.07 Q 0.07 R 0.06 K 0.06 N 0.05 A 0.05 W 0.04 E 0.04 Y 0.04 F 0.03 S 0.01 HN Overlap>> V6 C Shift Assignments>> C :: 173.1 CA :: 55.1 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.78 HA :: 5.53 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 :: 120 Ave N Shift Values>> N :: 116.3(3.95) F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 D 0.09 Q 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.04 Y 0.04 N 0.04 F 0.04 A 0.03 S 0.01 C Shift Assignments>> C :: 174.8 CA :: 55.4 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.49 HA :: 5.21 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 120.69(4.18) E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.15 L 0.11 M 0.08 N 0.08 H 0.08 A 0.07 C 0.06 Q 0.06 R 0.05 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 HN Overlap>> F53 C Shift Assignments>> C :: 174 CA :: 54.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.71 HA :: 4.7 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 120.68(3.68) L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.27 N 0.2 P 0.19 D 0.09 C 0.05 L 0.03 M 0.02 H 0.02 R 0.01 W 0.01 Q 0.01 K 0.01 C Shift Assignments>> C :: 176.5 CA :: 51.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.16 HA :: 4.71 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 :: 121.9 Ave N Shift Values>> N :: 121.98(4.07) F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.12 A 0.1 L 0.1 M 0.07 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 175.9 CA :: 54.3 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 :: 8.91 HA :: 5.13 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 :: 124.1 Ave N Shift Values>> N :: 120.69(4.18) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.14 A 0.12 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 175.6 CA :: 54.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.47 HA :: 3.75 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.5 Ave N Shift Values>> N :: 123.23(3.7) D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.13 L 0.11 M 0.09 H 0.08 C 0.07 N 0.07 Q 0.06 A 0.06 R 0.06 K 0.06 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 176.3 CA :: 54.9 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 :: 8.97 HA :: 4.27 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 :: 112.9 Ave N Shift Values>> N :: 120.73(4.2) K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 Q 0.09 L 0.08 K 0.08 R 0.08 C 0.07 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 176.2 CA :: 56.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.54 HA :: 4.56 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.1 W 0.1 F 0.09 C 0.09 E 0.09 S 0.08 R 0.07 K 0.07 Q 0.06 H 0.05 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> K131 C Shift Assignments>> CA :: 57.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.36 HA :: 4.41 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 :: 114.4 Ave N Shift Values>> N :: 121.02(4.96) P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.3 S 0.2 T 0.19 I 0.13 P 0.13 C 0.01 C Shift Assignments>> C :: 180.2 CA :: 65.9 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) K31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.12 F 0.1 S 0.1 T 0.09 V 0.09 C 0.09 Y 0.09 W 0.07 E 0.04 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 181 CA :: 60.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.71(S) HA :: 4 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 :: 123.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 T 0.21 I 0.15 S 0.13 P 0.07 C 0.01 C Shift Assignments>> C :: 177 CA :: 66.9 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 :: 10.28 HA :: 3.98 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 :: 123.7 Ave N Shift Values>> N :: 115.7(5.05) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 D 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> C :: 177.4 CA :: 55.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.23 HA :: 4.03 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.8 Ave N Shift Values>> N :: 123.23(3.7) E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 C 0.1 E 0.09 Y 0.09 F 0.08 R 0.08 K 0.07 Q 0.06 S 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 176.7 CA :: 57.6 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 :: 8.03 HA :: 4.49 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 :: 117.4 Ave N Shift Values>> N :: 120.68(3.68) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.09 M 0.09 K 0.09 R 0.08 C 0.08 L 0.07 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.03 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 174 CA :: 56.4 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 :: 7.13 HA :: 4.03 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 :: 115.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 T 0.17 V 0.16 F 0.07 C 0.07 Y 0.06 S 0.05 W 0.04 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 178.1 CA :: 61.1 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.02 HA :: 4.11 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 :: 116.6 Ave N Shift Values>> N :: 120.69(4.18) R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.12 F 0.1 S 0.1 T 0.09 V 0.09 C 0.09 Y 0.09 W 0.07 E 0.04 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 177.3 CA :: 60.1 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 :: 8.96 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.16 D 0.15 A 0.14 L 0.08 M 0.06 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.03 W 0.03 Y 0.02 F 0.02 E 0.02 HN Overlap>> D85 C Shift Assignments>> C :: 181.7 CA :: 53.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.67 HA :: 4.04 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 123.23(3.7) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 K 0.09 Q 0.09 C 0.08 H 0.08 E 0.08 W 0.07 M 0.07 Y 0.06 F 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> C :: 178.8 CA :: 56.9 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.22 HA :: 3.75 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 :: 120.4 Ave N Shift Values>> N :: 121.98(4.07) S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.24 V 0.23 I 0.2 P 0.12 C 0.04 F 0.03 Y 0.02 W 0.02 S 0.02 HN Overlap>> S99 C Shift Assignments>> C :: 173.8 CA :: 62.2 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 :: 4.44 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 :: 118.9 Ave N Shift Values>> N :: 116.3(3.95) T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 T 0.21 I 0.17 P 0.16 S 0.1 C 0.03 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 177.5 CA :: 62.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.99 HA :: 4.27 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 :: 107.7 Ave N Shift Values>> N :: 115.7(5.05) G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 177 CA :: 45.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.58 HA2 :: 3.46 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 :: 107.7 Ave N Shift Values>> N :: 109.91(4.29) E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 S 0.1 W 0.1 C 0.09 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 175.8 CA :: 58.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8 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 :: 117.8 Ave N Shift Values>> N :: 120.68(3.68) K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.16 D 0.15 A 0.14 L 0.08 M 0.06 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.03 W 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 175.9 CA :: 53.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.13 HA :: 4.28 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.9 CA :: 44.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.94 HA2 :: 3.55 HA3 :: 4.28 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.8 Ave N Shift Values>> N :: 109.91(4.29) F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.19 A 0.17 D 0.15 L 0.08 M 0.06 C 0.06 H 0.05 Q 0.03 R 0.03 K 0.03 W 0.02 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 172.1 CA :: 53.7 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 :: 6.42 HA :: 4.6 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 :: 113.3 Ave N Shift Values>> N :: 120.69(4.18) G47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 170.9 CA :: 45.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.74 HA2 :: 4.34 HA3 :: 2.5(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104 Ave N Shift Values>> N :: 109.91(4.29) Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.09 C 0.09 K 0.09 E 0.09 Q 0.08 W 0.08 H 0.07 Y 0.07 M 0.07 F 0.06 L 0.05 S 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 177.3 CA :: 57.1 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.86 HA :: 4.2 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 :: 113.3 Ave N Shift Values>> N :: 120.79(4.69) K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 T 0.15 V 0.14 F 0.08 C 0.07 S 0.07 Y 0.07 W 0.05 P 0.03 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 M 0.01 HN Overlap>> Q111 C Shift Assignments>> C :: 176.8 CA :: 60.8 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 :: 8.47 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 :: 124.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 173.7 CA :: 44.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.52 HA2 :: 4.8 HA3 :: 4.41 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 109.91(4.29) S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 171.1 CA :: 58.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.41 HA :: 4.63 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 :: 116.3 Ave N Shift Values>> N :: 116.3(3.95) C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 D 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> C :: 175.6 CA :: 55.6 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.96 HA :: 5.94 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.4 Ave N Shift Values>> N :: 119.95(4.79) F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 C 0.1 Y 0.09 E 0.09 F 0.08 R 0.08 K 0.07 S 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 HN Overlap>> E23 C Shift Assignments>> C :: 174.4 CA :: 57.7 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 :: 8.68 HA :: 4.87 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 :: 122.6 Ave N Shift Values>> N :: 120.69(4.18) H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 K 0.09 C 0.09 Q 0.08 E 0.08 H 0.08 W 0.08 M 0.07 Y 0.07 F 0.06 L 0.05 S 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 174.8 CA :: 57 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 :: 7.49 HA :: 4.66 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 :: 118.8 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.1 N 0.09 M 0.08 A 0.08 H 0.07 C 0.06 Q 0.06 R 0.05 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 172.5 CA :: 54.6 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 :: 6.89 HA :: 5.09 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.7 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.18 V 0.16 F 0.06 C 0.06 Y 0.05 S 0.05 P 0.04 W 0.04 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 173.1 CA :: 61.2 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.15 HA :: 4.6 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 :: 126.7 Ave N Shift Values>> N :: 121.6(4.72) I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.09 E 0.09 R 0.09 K 0.08 W 0.08 Q 0.08 Y 0.07 H 0.07 F 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.2 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.49 HA :: 5.28 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 :: 126.7 Ave N Shift Values>> N :: 121.6(4.72) P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.23 T 0.21 I 0.17 P 0.15 S 0.09 C 0.03 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 177 CA :: 62.5 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 171.5 CA :: 44.8 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.83 HA2 :: 4.04 HA3 :: 4.04 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.7 Ave N Shift Values>> N :: 109.91(4.29) F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 L 0.09 Q 0.09 K 0.08 R 0.08 C 0.07 E 0.06 W 0.06 Y 0.05 D 0.05 F 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 172 CA :: 56.1 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.11 HA :: 5.19 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 120.69(4.18) M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.12 A 0.1 L 0.1 M 0.07 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 173.7 CA :: 54.3 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 :: 7.85 HA :: 5.15 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 :: 109.6 Ave N Shift Values>> N :: 120.1(3.88) C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.1 E 0.09 R 0.09 W 0.09 K 0.08 Y 0.08 Q 0.07 F 0.07 H 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 172.2 CA :: 57.3 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.32 HA :: 4.81 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 112.6 Ave N Shift Values>> N :: 119.95(4.79) Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.12 A 0.1 L 0.1 M 0.07 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 173.5 CA :: 54.3 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 :: 9.33 HA :: 5.13 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 :: 127.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 HN Overlap>> G130 C Shift Assignments>> C :: 172.2 CA :: 44.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.47 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110 Ave N Shift Values>> N :: 109.91(4.29) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 174.8 CA :: 46.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.11 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.8 Ave N Shift Values>> N :: 109.91(4.29) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.28 A 0.25 N 0.18 D 0.08 C 0.05 L 0.03 M 0.02 H 0.02 R 0.01 W 0.01 C Shift Assignments>> C :: 175.8 CA :: 51.2 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.99 HA :: 4.25 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 :: 123.7 Ave N Shift Values>> N :: 120.73(4.2) F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.11 M 0.1 H 0.09 Q 0.08 K 0.07 R 0.07 C 0.07 D 0.06 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> C :: 173.5 CA :: 55.8 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 :: 6.73 HA :: 4.61 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 :: 115.5 Ave N Shift Values>> N :: 120.69(4.18) T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.19 V 0.17 F 0.06 P 0.06 C 0.06 Y 0.04 S 0.04 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 175.1 CA :: 61.4 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 :: 7.25 HA :: 4.62 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 :: 108.1 Ave N Shift Values>> N :: 115.7(5.05) R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.1 N 0.09 M 0.08 A 0.08 H 0.07 C 0.06 Q 0.06 R 0.05 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 175.6 CA :: 54.6 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 :: 8.7 HA :: 4.38 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.09 Q 0.09 H 0.08 C 0.08 M 0.08 E 0.07 W 0.07 Y 0.06 L 0.06 F 0.06 S 0.04 D 0.02 C Shift Assignments>> C :: 173.6 CA :: 56.8 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 :: 6.58 HA :: 4.42 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 :: 110.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 C 0.05 L 0.05 M 0.04 P 0.03 H 0.03 R 0.02 Q 0.01 K 0.01 W 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 175.1 CA :: 52.1 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 :: 7.44 HA :: 4.51 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 :: 111.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 HN Overlap>> G124 C Shift Assignments>> C :: 174.5 CA :: 44.8 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.66 HA2 :: 4.47 HA3 :: 4.47 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.7 Ave N Shift Values>> N :: 109.91(4.29) T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.22 I 0.22 V 0.2 P 0.09 S 0.05 C 0.04 F 0.04 Y 0.03 W 0.02 C Shift Assignments>> C :: 175.6 CA :: 61.9 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 :: 7.87 HA :: 4.15 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 :: 109.2 Ave N Shift Values>> N :: 115.7(5.05) G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.5 CA :: 44.8 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.8 HA2 :: 4.46 HA3 :: 3.45 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.3 Ave N Shift Values>> N :: 109.91(4.29) G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.29 K 0.09 C 0.07 D 0.07 F 0.05 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 171.5 CA :: 42.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.09 HA2 :: 4.57 HA3 :: 2.64 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.5 Ave N Shift Values>> N :: 109.91(4.29) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 D 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> C :: 171.8 CA :: 55.6 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 :: 6.95 HA :: 4.66 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 :: 115.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 K 0.09 R 0.09 H 0.09 C 0.08 M 0.08 E 0.07 W 0.07 L 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 C Shift Assignments>> C :: 175.1 CA :: 56.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.79 HA :: 5.21 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 :: 114.1 Ave N Shift Values>> N :: 116.3(3.95) I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.24 V 0.19 S 0.18 T 0.16 I 0.13 C 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.5 CA :: 63.3 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.57 HA :: 4.2 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 :: 110.3 Ave N Shift Values>> N :: 121.6(4.72) Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 L 0.1 Q 0.09 K 0.08 R 0.08 C 0.07 W 0.06 E 0.06 D 0.05 Y 0.05 F 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 174.8 CA :: 56 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 :: 8.08 HA :: 4.66 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.79(4.69) G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 K 0.12 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 173.4 CA :: 42.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.12 HA2 :: 4.65 HA3 :: 3.8 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.9 Ave N Shift Values>> N :: 109.91(4.29) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.13 F 0.1 T 0.1 V 0.09 S 0.09 C 0.09 Y 0.08 W 0.07 E 0.04 R 0.03 K 0.02 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 175.2 CA :: 60.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.97 HA :: 4.49 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 120.68(3.68) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 A 0.19 D 0.14 L 0.07 M 0.05 C 0.05 H 0.05 Q 0.03 R 0.03 K 0.03 W 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 174.8 CA :: 53.5 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 :: 7.89 HA :: 5.54 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 :: 112.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 D 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> C :: 172.9 CA :: 55.6 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.2 HA :: 4.96 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 :: 115.9 Ave N Shift Values>> N :: 120.69(4.18) E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 Q 0.09 L 0.08 K 0.08 R 0.08 C 0.07 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 175.6 CA :: 56.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.25 HA :: 3.78 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 :: 118.9 Ave N Shift Values>> N :: 120.68(3.68) D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.13 A 0.11 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.05 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 HN Overlap>> A38 C Shift Assignments>> C :: 175.5 CA :: 54.2 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.66 HA :: 4.28 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 :: 118.5 Ave N Shift Values>> N :: 120.73(4.2) E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.11 F 0.1 S 0.1 Y 0.09 C 0.09 T 0.08 V 0.08 W 0.08 E 0.04 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 175.6 CA :: 60 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 :: 9.56 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 :: 131.5 Ave N Shift Values>> N :: 120.68(3.68) N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 L 0.05 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.01 W 0.01 P 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 170 CA :: 52.4 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 :: 7.07 HA :: 4.12 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 :: 106.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 D 0.08 Q 0.08 C 0.07 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 177 CA :: 55.5 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 :: 8.33 HA :: 5.96 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 :: 112.2 Ave N Shift Values>> N :: 120.69(4.18) I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.21 P 0.19 T 0.16 I 0.12 C 0.01 C Shift Assignments>> C :: 177 CA :: 64.6 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.31 HA :: 3.74 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 121.6(4.72) L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.19 A 0.17 D 0.15 L 0.08 M 0.06 C 0.06 H 0.05 Q 0.03 R 0.03 K 0.03 W 0.02 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 175.6 CA :: 53.7 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.79 HA :: 4.45 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117 Ave N Shift Values>> N :: 121.98(4.07) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.14 A 0.12 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 175.6 CA :: 54.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.09 HA :: 4.6 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 :: 118.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 M 0.1 Q 0.09 K 0.08 R 0.08 L 0.08 C 0.08 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 177 CA :: 56.3 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 :: 10.58 HA :: 4.34 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 :: 121.9 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 P 0.19 T 0.19 I 0.15 S 0.14 C 0.02 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 174.8 CA :: 62.9 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 :: 7.24 HA :: 4 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 :: 109.6 Ave N Shift Values>> N :: 115.7(5.05) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.54 HA2 :: 4.75 HA3 :: 4.44 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.6 Ave N Shift Values>> N :: 109.91(4.29) P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.23 T 0.22 I 0.18 P 0.13 S 0.08 C 0.03 F 0.03 Y 0.02 W 0.01 C Shift Assignments>> C :: 176.4 CA :: 62.4 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> G109 C Shift Assignments>> C :: 172.5 CA :: 44.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.24 HA2 :: 4.6 HA3 :: 3.35 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.91(4.29) I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.06 I 0.06 R 0.05 K 0.04 V 0.04 T 0.04 Q 0.03 H 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 172.1 CA :: 59.2 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.78 HA :: 4.02 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 :: 120.7 Ave N Shift Values>> N :: 121.6(4.72) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.26 N 0.23 D 0.13 L 0.06 C 0.05 M 0.05 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 173 CA :: 53 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 :: 7.82 HA :: 4.81 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.3 Ave N Shift Values>> N :: 121.98(4.07) S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.14 A 0.12 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 HN Overlap>> S40 C Shift Assignments>> C :: 173.4 CA :: 54.1 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 :: 5.21 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 :: 118.9 Ave N Shift Values>> N :: 116.3(3.95) M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 A 0.19 D 0.14 L 0.07 M 0.05 C 0.05 H 0.05 Q 0.03 R 0.03 K 0.03 W 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 178.4 CA :: 53.5 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.29 HA :: 5.51 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 :: 122.6 Ave N Shift Values>> N :: 120.1(3.88) A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.27 N 0.2 P 0.19 D 0.09 C 0.05 L 0.03 M 0.02 H 0.02 R 0.01 W 0.01 Q 0.01 K 0.01 C Shift Assignments>> C :: 174.5 CA :: 51.4 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 :: 4.72 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.3 Ave N Shift Values>> N :: 123.23(3.7) N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 A 0.21 D 0.13 L 0.07 M 0.05 C 0.05 H 0.05 Q 0.03 R 0.03 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 172.3 CA :: 53.4 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 :: 7.7 HA :: 4.71 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 :: 113.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.71 A 0.11 N 0.07 D 0.02 C 0.02 C Shift Assignments>> C :: 175.9 CA :: 50.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.26 HA :: 4.73 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 123.23(3.7) G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.24 HA2 :: 4.68 HA3 :: 3.72 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.7 Ave N Shift Values>> N :: 109.91(4.29) P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.26 P 0.22 V 0.18 T 0.15 I 0.12 C 0.01 F 0.01 C Shift Assignments>> C :: 175.5 CA :: 63.7 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.15 A 0.13 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 HN Overlap>> F7 C Shift Assignments>> C :: 174.4 CA :: 54 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 :: 8.86 HA :: 4.11 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 :: 118.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 I 0.11 S 0.1 Y 0.09 C 0.09 W 0.08 T 0.08 V 0.08 E 0.05 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 172.9 CA :: 59.9 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 :: 10.31 HA :: 4.44 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 :: 110 Ave N Shift Values>> N :: 115.7(5.05) N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 D 0.08 Q 0.08 C 0.07 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.01 HN Overlap>> H126 C Shift Assignments>> C :: 173.4 CA :: 55.5 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.43 HA :: 4.2 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 HN Overlap>> G96 C Shift Assignments>> C :: 170.4 CA :: 45.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.15 HA2 :: 4.62 HA3 :: 4.62 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.91(4.29) S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.09 C 0.09 K 0.09 E 0.09 Q 0.08 W 0.08 H 0.07 Y 0.07 M 0.07 F 0.06 L 0.05 S 0.05 D 0.02 I 0.01 HN Overlap>> T152 C Shift Assignments>> C :: 175.3 CA :: 57.1 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.77 HA :: 4.78 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 :: 116.7 Ave N Shift Values>> N :: 116.3(3.95) Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.1 W 0.1 F 0.09 C 0.09 E 0.09 S 0.08 R 0.07 K 0.07 Q 0.06 H 0.05 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> K49 C Shift Assignments>> C :: 175.5 CA :: 57.9 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.42 HA :: 4.29 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 :: 124.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.12 L 0.11 M 0.09 H 0.08 C 0.07 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.05 W 0.04 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 171.4 CA :: 55 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 :: 8.17 HA :: 6.05 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117 Ave N Shift Values>> N :: 120.69(4.18) F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.15 L 0.11 M 0.08 N 0.08 H 0.08 A 0.07 C 0.06 Q 0.06 R 0.05 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 172.1 CA :: 54.7 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.83 HA :: 5.85 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 :: 114.4 Ave N Shift Values>> N :: 120.69(4.18) I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 176.7 CA :: 58.7 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.03 HA :: 4.86 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 Ave N Shift Values>> N :: 121.6(4.72) C115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 T 0.17 V 0.16 F 0.07 C 0.07 Y 0.06 S 0.05 W 0.04 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 175.9 CA :: 61.1 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.5 HA :: 4.58 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 119.95(4.79) T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.14 T 0.11 V 0.1 F 0.1 S 0.09 C 0.08 Y 0.08 W 0.07 E 0.04 R 0.03 K 0.02 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 171.9 CA :: 60.3 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.05 HA :: 4.4 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.2 Ave N Shift Values>> N :: 115.7(5.05) A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.66 A 0.13 N 0.08 D 0.03 C 0.02 L 0.01 M 0.01 HN Overlap>> D123 C Shift Assignments>> C :: 174.5 CA :: 50.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.62 HA :: 4.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 123.23(3.7) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.1 E 0.09 R 0.09 W 0.09 K 0.08 Y 0.08 Q 0.07 F 0.07 H 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 175.6 CA :: 57.3 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.73 HA :: 3.79 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 :: 119.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 K 0.09 R 0.09 H 0.09 C 0.08 M 0.08 E 0.07 W 0.07 L 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 C Shift Assignments>> C :: 174.5 CA :: 56.7 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 :: 7.38 HA :: 3.55 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 :: 117.4 Ave N Shift Values>> N :: 115.7(5.05) E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.05 I 0.05 K 0.05 Q 0.04 H 0.04 V 0.03 T 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 176.6 CA :: 59 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 :: 5.19 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 120.68(3.68) W121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 S 0.11 Y 0.1 C 0.09 I 0.09 W 0.08 T 0.07 V 0.06 E 0.05 R 0.04 K 0.03 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 175.5 CA :: 59.7 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.31 HA :: 4.72 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.15 A 0.13 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 176.5 CA :: 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 :: 7.06 HA :: 4.32 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 :: 120.4 Ave N Shift Values>> N :: 121.98(4.07) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 D 0.09 Q 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.04 Y 0.04 N 0.04 F 0.04 A 0.03 S 0.01 HN Overlap>> A117 C Shift Assignments>> C :: 177.5 CA :: 55.4 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.59 HA :: 5.18 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 :: 121.9 Ave N Shift Values>> N :: 120.73(4.2) G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> G72 C Shift Assignments>> C :: 171.5 CA :: 44.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.58 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.7 Ave N Shift Values>> N :: 109.91(4.29) K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 L 0.1 H 0.1 Q 0.08 K 0.08 R 0.07 C 0.07 D 0.06 W 0.05 E 0.05 Y 0.05 F 0.04 S 0.02 N 0.02 A 0.02 C Shift Assignments>> C :: 174.4 CA :: 55.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.59 HA :: 4.06 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 :: 114.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.15 L 0.11 M 0.08 N 0.08 H 0.08 A 0.07 C 0.06 Q 0.06 R 0.05 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 HN Overlap>> N108 C Shift Assignments>> C :: 173.2 CA :: 54.7 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 :: 7.44 HA :: 4.8 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.24 S 0.2 V 0.19 T 0.16 I 0.13 C 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.1 CA :: 63.4 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 :: 8.25 HA :: 4.24 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 :: 124.1 Ave N Shift Values>> N :: 121.02(4.96) V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 P 0.19 T 0.19 I 0.15 S 0.14 C 0.02 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 174.4 CA :: 62.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.45 HA :: 3.98 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 :: 132.6 Ave N Shift Values>> N :: 121.02(4.96) F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 D 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> C :: 172.1 CA :: 55.6 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 :: 8.12 HA :: 5.24 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 :: 116.7 Ave N Shift Values>> N :: 120.69(4.18) G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 HN Overlap>> G64 C Shift Assignments>> C :: 170.1 CA :: 46.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.37 HA2 :: 3.08 HA3 :: 3.08 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110 Ave N Shift Values>> N :: 109.91(4.29) K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.1 N 0.1 A 0.08 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 W 0.03 E 0.03 Y 0.03 F 0.02 HN Overlap>> V29 C Shift Assignments>> C :: 174.4 CA :: 54.5 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 :: 8.3 HA :: 5.16 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 :: 114.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.26 P 0.22 V 0.18 T 0.15 I 0.12 C 0.01 F 0.01 C Shift Assignments>> C :: 174.8 CA :: 63.7 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.01 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 121.02(4.96) K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.09 M 0.09 K 0.09 R 0.08 C 0.08 L 0.07 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.03 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 174.8 CA :: 56.4 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.45 HA :: 4.42 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 :: 131.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.12 L 0.11 M 0.09 H 0.08 C 0.07 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.05 W 0.04 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 174.3 CA :: 55 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 :: 7.54 HA :: 4.55 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 :: 117.7 Ave N Shift Values>> N :: 120.68(3.68) G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 176.5 CA :: 46.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.7 HA2 :: 4.8 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.4 Ave N Shift Values>> N :: 109.91(4.29) M136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.1 M 0.09 K 0.09 R 0.08 C 0.08 L 0.07 E 0.07 W 0.06 Y 0.05 F 0.05 D 0.03 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 177 CA :: 56.5 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.88 HA :: 4.46 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 :: 122.9 Ave N Shift Values>> N :: 120.1(3.88) N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 K 0.07 C 0.07 R 0.07 D 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 176.8 CA :: 55.7 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 :: 8.92 HA :: 4.44 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 :: 113.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 T 0.17 V 0.16 F 0.07 C 0.07 Y 0.06 S 0.05 W 0.04 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 177 CA :: 61.1 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.65 HA :: 3.75 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 :: 123.7 Ave N Shift Values>> N :: 121.6(4.72) V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 S 0.22 T 0.18 P 0.14 I 0.13 C 0.01 C Shift Assignments>> C :: 177.4 CA :: 65.7 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.28 HA :: 3.86 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 121.02(4.96) E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 I 0.04 Q 0.04 H 0.04 M 0.03 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 178.7 CA :: 58.9 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.31 HA :: 4.67 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 :: 117.4 Ave N Shift Values>> N :: 120.68(3.68) A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.1 N 0.1 A 0.08 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 W 0.03 E 0.03 Y 0.03 F 0.02 C Shift Assignments>> C :: 179.9 CA :: 54.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.51 HA :: 4.09 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 123.23(3.7) M142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 I 0.06 E 0.06 R 0.05 V 0.04 T 0.04 K 0.04 H 0.03 Q 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 177.2 CA :: 59.3 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.31 HA :: 3.96 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.6 Ave N Shift Values>> N :: 120.1(3.88) E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 177.3 CA :: 58.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.89 HA :: 3.74 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 :: 115.9 Ave N Shift Values>> N :: 120.68(3.68) R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.1 E 0.09 R 0.09 W 0.09 K 0.08 Y 0.08 Q 0.07 F 0.07 H 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 176.6 CA :: 57.3 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 :: 7.01 HA :: 3.92 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 :: 114.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 C 0.1 Y 0.09 E 0.09 F 0.08 R 0.08 K 0.07 S 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 175.2 CA :: 57.7 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 :: 7.63 HA :: 4.79 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 :: 114.8 Ave N Shift Values>> N :: 120.69(4.18) G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.2 CA :: 43.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.57 HA2 :: 4.59 HA3 :: 3.61 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.4 Ave N Shift Values>> N :: 109.91(4.29) S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 Y 0.1 C 0.09 F 0.09 E 0.09 R 0.07 S 0.07 K 0.07 Q 0.06 H 0.05 M 0.05 L 0.03 I 0.01 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 174.8 CA :: 57.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.21 HA :: 4.8 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 :: 109.2 Ave N Shift Values>> N :: 116.3(3.95) R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 I 0.07 E 0.06 T 0.05 V 0.05 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.2 CA :: 59.4 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 :: 8.93 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 C 0.05 L 0.05 M 0.04 P 0.03 H 0.03 R 0.02 Q 0.01 K 0.01 W 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 176.2 CA :: 52.1 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 :: 7.87 HA :: 4.83 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 110.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.7 CA :: 44.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.07 HA2 :: 4 HA3 :: 4.17 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.91(4.29) K151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.09 Q 0.09 H 0.08 C 0.08 M 0.08 E 0.07 W 0.07 Y 0.06 L 0.06 F 0.06 S 0.04 D 0.02 C Shift Assignments>> C :: 178 CA :: 56.8 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 :: 7.56 HA :: 4.4 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 :: 119.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.11 F 0.11 Y 0.1 C 0.09 W 0.08 I 0.08 E 0.06 T 0.05 V 0.05 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> S110 C Shift Assignments>> C :: 175.4 CA :: 59.5 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 :: 8.88 HA :: 5.57 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 115.7(5.05) S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 174 CA :: 58.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.47 HA :: 4.42 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 116.3(3.95) K154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.12 A 0.1 L 0.1 M 0.07 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 173.8 CA :: 54.3 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.54 HA :: 4.53 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 :: 118.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 Q 0.09 L 0.08 K 0.08 R 0.08 C 0.07 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 175.5 CA :: 56.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.8 HA :: 4.3 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 I 0.04 H 0.04 M 0.03 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 175.8 CA :: 58.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.63 HA :: 5.08 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 :: 133.7 Ave N Shift Values>> N :: 121.6(4.72) T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.06 R 0.05 I 0.05 K 0.04 V 0.04 T 0.04 Q 0.04 H 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 173 CA :: 59.1 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.23 HA :: 5.3 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 Ave N Shift Values>> N :: 115.7(5.05) I158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 T 0.12 V 0.12 F 0.09 C 0.08 S 0.08 Y 0.08 W 0.06 E 0.03 R 0.03 K 0.02 P 0.02 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 174 CA :: 60.5 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.58 HA :: 4.22 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 :: 121.1 Ave N Shift Values>> N :: 121.6(4.72) A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.16 D 0.15 A 0.14 L 0.08 M 0.06 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.03 W 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 177.9 CA :: 53.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.86 HA :: 4.12 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.9 Ave N Shift Values>> N :: 123.23(3.7) D160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 L 0.05 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.01 W 0.01 P 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 172.2 CA :: 52.4 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.06 HA :: 4.87 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 :: 110.7 Ave N Shift Values>> N :: 120.73(4.2) C161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.12 L 0.11 M 0.09 H 0.08 C 0.07 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.05 W 0.04 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 171.9 CA :: 55 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.59 HA :: 4.53 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.5 Ave N Shift Values>> N :: 119.95(4.79) G162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 169.6 CA :: 45.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.85 HA2 :: 3.51 HA3 :: 3.51 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104 Ave N Shift Values>> N :: 109.91(4.29) Q163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.14 L 0.11 M 0.09 H 0.08 N 0.07 C 0.07 A 0.06 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 174.8 CA :: 54.8 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 :: 9.09 HA :: 5.05 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 :: 120.4 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.1 N 0.1 A 0.08 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 W 0.03 E 0.03 Y 0.03 F 0.02 C Shift Assignments>> C :: 175.5 CA :: 54.5 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 :: 8.59 HA :: 4.62 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 :: 125.6 Ave N Shift Values>> N :: 121.98(4.07) E165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 Y 0.1 C 0.09 F 0.09 E 0.09 R 0.07 S 0.07 K 0.07 Q 0.06 H 0.05 M 0.05 L 0.03 I 0.01 V 0.01 D 0.01 T 0.01 C Shift Assignments>> CA :: 57.8 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.15 HA :: 4.15 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 :: 125.6 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 162 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 161 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 165 #Suspicious: 0 C Shift Results: #Consistent: 317 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 321 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 156 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: P4 Typing: Mistyped P4 CA = 56.9(S), Expected = 63.30, Std = 1.6400, ChiSquare = 9.5228e-05 K31 H = 10.71(S), Expected = 8.22, Std = 0.6400, ChiSquare = 9.9986e-05 G47 HA3 = 2.5(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.5023e-04