Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.407 CA :: 59.429 CB :: 63.765 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.381 HB2 :: 3.901 HB3 :: 3.901 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 K 0.15 F 0.09 Y 0.06 N 0.06 C 0.05 R 0.03 C Shift Assignments>> C :: 177.194 CA :: 54.621 CB :: 41.54 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.147 HA :: 4.635 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.428 Ave N Shift Values>> N :: 120.65(3.86) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.023 CA :: 65.215 CB :: 31.487 CG1 :: 21.667 CG2 :: 21.854 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.13 HA :: 3.459 HB :: 1.794 HG11 :: 0.58 HG12 :: 0.58 HG13 :: 0.58 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.827 Ave N Shift Values>> N :: 121.14(4.54) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.28 I 0.27 K 0.03 Q 0.01 C Shift Assignments>> C :: 179.483 CA :: 59.92 CB :: 29.289 CG :: 36.773 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.038 HA :: 3.929 HB2 :: 2.132 HB3 :: 2.132 HG2 :: 2.377 HG3 :: 2.377 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.651 Ave N Shift Values>> N :: 120.67(3.48) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.15 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 179.057 CA :: 59.262 CB :: 29.205 CG :: 36.09 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.886 HA :: 4.14 HB2 :: 2.137 HB3 :: 2.137 HG2 :: 2.357 HG3 :: 2.357 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.793 Ave N Shift Values>> N :: 120.67(3.48) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 180.092 CA :: 65.246 CB :: 37.515 CG1 :: 28.685 CG2 :: 17.146 CD1 :: 13.538 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.808 HA :: 3.767 HB :: 1.749 HG12 :: 1.592 HG13 :: 0.909 HG21 :: 0.574 HG22 :: 0.574 HG23 :: 0.574 HD11 :: 0.602 HD12 :: 0.602 HD13 :: 0.602 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.901 Ave N Shift Values>> N :: 121.46(4.28) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.22 F 0.19 I 0.18 E 0.09 M 0.01 HN Overlap>> 1.V123 1.V123 C Shift Assignments>> C :: 178.948 CA :: 58.773 CB :: 37.83 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.298 HB2 :: 3.345 HB3 :: 3.014 HD1 :: 7.095 HD2 :: 7.095 HE1 :: 7.223 HE2 :: 7.223 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.728 Ave N Shift Values>> N :: 120.45(4.18) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.43 R 0.07 C Shift Assignments>> C :: 178.423 CA :: 60.286 CB :: 32.721 CG :: 25.106 CD :: 29.568 CE :: 42.108 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.425 HA :: 4.053 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 1.488 HG3 :: 1.488 HD2 :: 1.786 HD3 :: 1.786 HE2 :: 3.041 HE3 :: 3.041 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.639 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.877 CA :: 66.114 CB :: 68.804 CG2 :: 22.058 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.59 HA :: 4.031 HB :: 4.223 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.925 Ave N Shift Values>> N :: 115.42(4.75) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E108 1.E108 C Shift Assignments>> C :: 176.21 CA :: 68.33 CB :: 68.79 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.342 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.292 Ave N Shift Values>> N :: 115.42(4.75) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 176.64 CA :: 66.147 CB :: 67.965 CG2 :: 23.394 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.067 HA :: 3.738 HB :: 3.968 HG21 :: 1.152 HG22 :: 1.152 HG23 :: 1.152 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.146 Ave N Shift Values>> N :: 115.42(4.75) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.13 I 0.12 E 0.11 Q 0.1 H 0.08 R 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 178.613 CA :: 59.14 CB :: 28.682 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.666 HA :: 4.339 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.685 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.12 K 0.1 I 0.09 H 0.09 R 0.09 Q 0.08 V 0.02 M 0.02 C Shift Assignments>> C :: 179.956 CA :: 59.505 CB :: 29.526 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.383 HA :: 4.152 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.664 Ave N Shift Values>> N :: 120.67(3.48) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 C Shift Assignments>> C :: 176.859 CA :: 66.886 CB :: 31.459 CG1 :: 24.129 CG2 :: 25.074 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.366 HA :: 3.536 HB :: 2.179 HG11 :: 0.875 HG12 :: 0.875 HG13 :: 0.875 HG21 :: 1.166 HG22 :: 1.166 HG23 :: 1.166 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.795 Ave N Shift Values>> N :: 121.14(4.54) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.16 W 0.15 E 0.07 R 0.07 I 0.06 P 0.06 H 0.05 K 0.03 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.981 CA :: 60.861 CB :: 30.756 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.066 HA :: 3.968 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.488 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 E 0.07 R 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 178.485 CA :: 58.441 CB :: 28.637 CG :: 33.977 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.82 HA :: 4.259 HB2 :: 2.242 HB3 :: 2.242 HG2 :: 2.533 HG3 :: 2.533 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.144 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.37 R 0.06 G 0.05 HN Overlap>> 1.R154 1.R154 C Shift Assignments>> C :: 179.284 CA :: 57.922 CB :: 43.158 CG :: 27.182 CD1 :: 25.016 CD2 :: 23.52 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.319 HA :: 4.211 HB2 :: 1.887 HB3 :: 1.595 HG :: 1.666 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.492 Ave N Shift Values>> N :: 121.86(3.9) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.23 R 0.22 G 0.05 A 0.01 HN Overlap>> 1.T150 1.T150 C Shift Assignments>> C :: 177.101 CA :: 54.846 CB :: 43.088 CG :: 27.811 CD1 :: 26.129 CD2 :: 23.521 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.482 HA :: 4.518 HB2 :: 1.93 HB3 :: 1.583 HG :: 1.82 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.985 HD22 :: 0.985 HD23 :: 0.985 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.268 Ave N Shift Values>> N :: 121.86(3.9) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 C 0.19 K 0.12 Q 0.11 W 0.07 H 0.06 I 0.06 E 0.04 R 0.02 C Shift Assignments>> C :: 176.489 CA :: 56.984 CB :: 26.518 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.099 HA :: 4.211 HB2 :: 2.056 HB3 :: 1.71 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.532 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.14 W 0.12 R 0.12 E 0.11 C 0.11 M 0.04 L 0.01 C Shift Assignments>> C :: 172.701 CA :: 55.408 CB :: 29.333 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.49 HA :: 5.72 HB2 :: 3.759 HB3 :: 2.644 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.079 Ave N Shift Values>> N :: 120.17(4.64) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.21 G 0.1 F 0.09 C 0.08 Y 0.05 K 0.03 D 0.03 C Shift Assignments>> C :: 174.861 CA :: 57.757 CB :: 43.703 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.969 HA :: 5.066 HB2 :: 2.228 HB3 :: 1.952 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.756 Ave N Shift Values>> N :: 120.65(3.86) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.2 Q 0.19 K 0.14 E 0.09 H 0.02 R 0.02 Y 0.01 W 0.01 N 0.01 C Shift Assignments>> C :: 174.509 CA :: 55.215 CB :: 34.66 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.031 HA :: 5.421 HB2 :: 1.596 HB3 :: 1.596 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.745 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 HN Overlap>> 1.L129 1.L129 C Shift Assignments>> C :: 174.262 CA :: 61.133 CB :: 35.13 CG1 :: 21.123 CG2 :: 22.774 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.027 HA :: 5.423 HB :: 1.989 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.374 Ave N Shift Values>> N :: 121.14(4.54) 1.A40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.66 L 0.14 C 0.09 K 0.03 R 0.03 C Shift Assignments>> C :: 174.257 CA :: 50.851 CB :: 25.608(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.822 HA :: 5.572 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.809 Ave N Shift Values>> N :: 123.23(3.54) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 173.766 CA :: 60.866 CB :: 34.522 CG1 :: 21.716 CG2 :: 21.041 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.354 HA :: 4.837 HB :: 1.557 HG11 :: 0.75 HG12 :: 0.75 HG13 :: 0.75 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.203 Ave N Shift Values>> N :: 121.14(4.54) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.15 F 0.11 R 0.1 Y 0.08 C 0.05 N 0.01 C Shift Assignments>> C :: 172.666 CA :: 56.072 CB :: 42.014 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.272 HA :: 4.392 HB2 :: 2.166 HB3 :: 1.914 HD1 :: 7.081 HD2 :: 7.081 HE1 :: 6.737 HE2 :: 6.737 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 132.019 Ave N Shift Values>> N :: 120.52(4.2) 1.R43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 G 0.3 R 0.14 C Shift Assignments>> C :: 175.373 CA :: 54.123 CB :: 35.047 CG :: 25.728 CD :: 43.746 CZ :: 159.583 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.029 HA :: 3.747 HB2 :: 1.192 HB3 :: 0.729(S) HG2 :: -0.002(S) HG3 :: -0.002(S) HD2 :: 3.007 HD3 :: 2.801 HE :: 6.916 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.228 NE :: 84.328 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 I 0.17 C 0.14 L 0.04 D 0.02 K 0.02 C Shift Assignments>> C :: 176.209 CA :: 59.274 CB :: 40.168 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.674 HA :: 4.637 HB2 :: 2.763 HB3 :: 2.291 HD1 :: 7.08 HD2 :: 7.08 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.06 Ave N Shift Values>> N :: 120.45(4.18) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.16 M 0.03 D 0.03 Y 0.03 F 0.02 E 0.02 C Shift Assignments>> C :: 175.88 CA :: 51.433 CB :: 37.139 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.063 HA :: 4.815 HB2 :: 2.709 HB3 :: 2.365 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.48 P 0.38 C 0.09 I 0.02 C Shift Assignments>> C :: 175.512 CA :: 65.355 CB :: 31.655 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.865 HB2 :: 2.237 HB3 :: 1.723 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.17 M 0.04 Y 0.03 E 0.03 D 0.03 F 0.02 C Shift Assignments>> C :: 175.55 CA :: 51.829 CB :: 37.027 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.325 HA :: 4.641 HB2 :: 3.355 HB3 :: 2.77 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 111.35 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.27 P 0.11 K 0.08 R 0.05 W 0.03 L 0.02 Q 0.01 V 0.01 C Shift Assignments>> C :: 177.878 CA :: 61.14 CB :: 25.761 CE2 :: 138.934 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.898 HA :: 3.945 HB2 :: 3.89 HB3 :: 3.643 HD1 :: 7.079 HE1 :: 9.947 HE3 :: 6.324 HZ2 :: 7.384 HZ3 :: 5.853 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 110.382 NE1 :: 128.286 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.316 CA :: 63.807 CB :: 71.745 CG2 :: 21.491 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.159 HA :: 4.497 HB :: 4.605 HG21 :: 1.28 HG22 :: 1.28 HG23 :: 1.28 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.051 Ave N Shift Values>> N :: 115.42(4.75) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 170.683 CA :: 47.475 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.297 HA2 :: 3.94 HA3 :: 3.498 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.884 Ave N Shift Values>> N :: 109.67(3.87) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.35 Q 0.08 E 0.07 C Shift Assignments>> C :: 174.432 CA :: 54.021 CB :: 32.774 CG :: 34.791 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.658 HA :: 4.248 HB2 :: 1.897 HB3 :: 1.721 HG2 :: 1.883 HG3 :: 1.76 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 112.586 Ave N Shift Values>> N :: 120.67(3.48) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 I 0.21 C 0.16 L 0.02 D 0.01 C Shift Assignments>> C :: 176.224 CA :: 59.246 CB :: 39.236 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.035 HA :: 4.95 HB2 :: 2.717 HB3 :: 2.523 HD1 :: 7.075 HD2 :: 7.075 HE1 :: 6.907 HE2 :: 6.907 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.586 Ave N Shift Values>> N :: 120.45(4.18) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.31 C Shift Assignments>> C :: 175.604 CA :: 60.778 CB :: 33.076 CG1 :: 22.727 CG2 :: 18.478 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.373 HA :: 4.43 HB :: 2.253 HG11 :: 0.724 HG12 :: 0.724 HG13 :: 0.724 HG21 :: 0.443 HG22 :: 0.443 HG23 :: 0.443 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.553 Ave N Shift Values>> N :: 121.14(4.54) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 A 0.15 C 0.14 K 0.08 C Shift Assignments>> C :: 175.192 CA :: 51.93 CB :: 23.311 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.395 HA :: 4.749 HB1 :: 1.334 HB2 :: 1.334 HB3 :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.379 Ave N Shift Values>> N :: 123.23(3.54) 1.E55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.22 Q 0.2 K 0.18 C 0.16 R 0.06 H 0.06 W 0.03 E 0.02 V 0.01 C Shift Assignments>> C :: 174.493 CA :: 55.58 CB :: 33.452 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.036 HA :: 5.692(S) HB2 :: 1.98 HB3 :: 1.98 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.324 Ave N Shift Values>> N :: 120.67(3.48) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.358 CA :: 57.022 CB :: 64.175 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.929 HA :: 4.896 HB2 :: 3.915 HB3 :: 3.533 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.553 Ave N Shift Values>> N :: 116.28(3.52) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.06 C Shift Assignments>> C :: 173.154 CA :: 59.475 CB :: 35.66 CG1 :: 18.318 CG2 :: 21.545 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.888 HA :: 5.094 HB :: 2.212 HG11 :: 0.917 HG12 :: 0.917 HG13 :: 0.917 HG21 :: 1.468 HG22 :: 1.468 HG23 :: 1.468 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.372 Ave N Shift Values>> N :: 121.14(4.54) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.06 C 0.02 L 0.01 C Shift Assignments>> C :: 178.285 CA :: 52.691 CB :: 19.802 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.189 HA :: 4.593 HB1 :: 1.817 HB2 :: 1.817 HB3 :: 1.817 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.806 Ave N Shift Values>> N :: 123.23(3.54) 1.H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 E 0.13 R 0.13 H 0.11 Q 0.08 K 0.07 M 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 175.449 CA :: 58.575 CB :: 30.765 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.541 HA :: 4.512 HB2 :: 3.197 HB3 :: 3.197 HD2 :: 6.985 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.634 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 173.904 CA :: 62.905 CB :: 68.531 CG2 :: 21.138 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.905 HA :: 3.701 HB :: 3.301 HG21 :: 0.467 HG22 :: 0.467 HG23 :: 0.467 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.367 Ave N Shift Values>> N :: 115.42(4.75) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 H 0.14 R 0.14 C 0.14 K 0.11 W 0.09 Q 0.06 E 0.06 C Shift Assignments>> C :: 176.3 CA :: 54.409 CB :: 31.655 CE2 :: 139.448 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.721 HA :: 5.334 HB2 :: 3.388 HB3 :: 2.881 HD1 :: 7.316 HE1 :: 10.305 HE3 :: 8.106 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.239 NE1 :: 129.541 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 176.548 CA :: 62.005 CB :: 32.617 CG1 :: 21.408 CG2 :: 19.441 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.498 HA :: 4.183 HB :: 2.336 HG11 :: 1.116 HG12 :: 1.116 HG13 :: 1.116 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.854 Ave N Shift Values>> N :: 121.14(4.54) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 K 0.14 M 0.01 C Shift Assignments>> C :: 174.012 CA :: 57.008 CB :: 33.041 CE :: 40.042 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.526 HA :: 4.032 HB2 :: 1.781 HB3 :: 1.781 HE2 :: 3.024 HE3 :: 3.024 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.118 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.52 C 0.24 A 0.14 L 0.08 C Shift Assignments>> C :: 174.446 CA :: 55.304 CB :: 45.337 CG :: 27.45 CD1 :: 21.146 CD2 :: 24.399 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.69 HA :: 4.518 HB2 :: 1.637 HB3 :: 1.637 HG :: 0.487 HD11 :: -0.513(S) HD12 :: -0.513(S) HD13 :: -0.513(S) HD21 :: -0.806(S) HD22 :: -0.806(S) HD23 :: -0.806(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.88 Ave N Shift Values>> N :: 121.86(3.9) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.951 CA :: 61.349 CB :: 32.676 CG1 :: 20.706 CG2 :: 22.117 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.48 HA :: 4.031 HB :: 1.949 HG11 :: 0.761 HG12 :: 0.761 HG13 :: 0.761 HG21 :: 0.494 HG22 :: 0.494 HG23 :: 0.494 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.005 Ave N Shift Values>> N :: 121.14(4.54) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.482 CA :: 44.771 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.247 HA2 :: 4.269 HA3 :: 4.087 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.605 Ave N Shift Values>> N :: 109.67(3.87) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 176.996 CA :: 63.869 CB :: 32.029 CG :: 27.216 CD :: 49.878 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.495 HB2 :: 2.296 HB3 :: 2.004 HG2 :: 2.042 HG3 :: 2.042 HD2 :: 3.673 HD3 :: 3.612 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.21 L 0.15 F 0.11 Y 0.09 C 0.07 K 0.01 C Shift Assignments>> C :: 175.22 CA :: 54.243 CB :: 40.203 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.716 HA :: 4.555 HB2 :: 2.767 HB3 :: 2.685 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.414 Ave N Shift Values>> N :: 120.65(3.86) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 175.719 CA :: 61.686 CB :: 37.825 CG1 :: 27.489 CG2 :: 17.425 CD1 :: 12.283 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.326 HA :: 4.052 HB :: 1.833 HG12 :: 1.35 HG13 :: 1.003 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 HD11 :: 0.569 HD12 :: 0.569 HD13 :: 0.569 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.58 Ave N Shift Values>> N :: 121.46(4.28) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.36 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 176.892 CA :: 54.248 CB :: 34.774 CG :: 24.292 CD :: 29.035 CE :: 42.203 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.553 HA :: 4.927 HB2 :: 1.8 HB3 :: 1.676 HG2 :: 1.421 HG3 :: 1.421 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.162 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 C 0.42 C Shift Assignments>> C :: 177.343 CA :: 62.007 CB :: 70.216 CG2 :: 23.769 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.676 HA :: 4.83 HB :: 4.496 HG21 :: 1.601 HG22 :: 1.601 HG23 :: 1.601 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.884 Ave N Shift Values>> N :: 115.42(4.75) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 174.864 CA :: 64.591 CB :: 31.453 CG1 :: 20.764 CG2 :: 19.499 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.251 HA :: 3.687 HB :: 1.826 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.166 Ave N Shift Values>> N :: 121.14(4.54) 1.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.2 K 0.17 C 0.17 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 175.801 CA :: 54.85 CB :: 33.474 CE2 :: 139.558 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.714 HA :: 4.945 HB2 :: 3.437 HB3 :: 2.683 HD1 :: 7.298 HE1 :: 10.962 HZ2 :: 7.595 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 115.256 NE1 :: 130.162 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 K 0.09 Q 0.07 M 0.06 I 0.03 C Shift Assignments>> C :: 174.852 CA :: 56.608 CB :: 29.88 CG :: 36.153 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.022 HA :: 4.319 HB2 :: 2.063 HB3 :: 2.063 HG2 :: 2.289 HG3 :: 2.289 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.543 Ave N Shift Values>> N :: 120.67(3.48) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.26 R 0.15 G 0.06 K 0.06 C 0.04 N 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 176.868 CA :: 52.366 CB :: 42.828 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.717 HA :: 4.889 HB2 :: 3.079 HB3 :: 2.312 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.781 Ave N Shift Values>> N :: 120.65(3.86) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.609 CA :: 60.742 CB :: 69.109 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.761 HA :: 4.837 HB :: 4.713 HG21 :: 1.19 HG22 :: 1.19 HG23 :: 1.19 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.347 Ave N Shift Values>> N :: 115.42(4.75) 1.H77 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 C 0.1 S 0.06 F 0.06 Y 0.05 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 178.043 CA :: 61.128 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.277 HA :: 3.874 HD2 :: 5.99 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.548 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.01 A 0.01 C Shift Assignments>> C :: 177.736 CA :: 57.564 CB :: 41.561 CG :: 26.489 CD1 :: 25.448 CD2 :: 22.323 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.084 HA :: 3.398 HB2 :: 2.166 HB3 :: 1.308 HG :: 1.394 HD11 :: 0.3 HD12 :: 0.3 HD13 :: 0.3 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.046 Ave N Shift Values>> N :: 121.86(3.9) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.23 R 0.21 Q 0.17 M 0.03 C Shift Assignments>> C :: 179.295 CA :: 57.989 CB :: 27.816 CG :: 32.557 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.806 HA :: 4.399 HB2 :: 2.058 HB3 :: 1.782 HG2 :: 2.596 HG3 :: 2.276 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.455 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.15 K 0.05 M 0.02 Q 0.02 C Shift Assignments>> C :: 178.236 CA :: 58.891 CB :: 29.621 CG :: 36.649 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.499 HA :: 3.898 HB2 :: 1.954 HB3 :: 1.954 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.45 Ave N Shift Values>> N :: 120.67(3.48) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.919 CA :: 60.953 CB :: 69.629 CG2 :: 20.699 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.283 HA :: 4.119 HB :: 4.106 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.755 Ave N Shift Values>> N :: 115.42(4.75) 1.Q82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.43 Q 0.04 R 0.02 V 0.01 C Shift Assignments>> C :: 173.138 CA :: 56.345 CB :: 24.604 CG :: 34.014 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.149 HA :: 2.481(S) HB2 :: 0.297(S) HB3 :: 0.297(S) HG2 :: 1.701 HG3 :: 1.701 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.845 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.27 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.384 CA :: 44.235 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.628 HA2 :: 3.709 HA3 :: 2.793 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.348 Ave N Shift Values>> N :: 109.67(3.87) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.051 CA :: 46.219 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.186 HA2 :: 4.306 HA3 :: 4.306 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.715 Ave N Shift Values>> N :: 109.67(3.87) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 C 0.15 L 0.14 K 0.11 W 0.11 H 0.1 E 0.08 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 176.213 CA :: 56.875 CB :: 27.657 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.596 HA :: 4.033 HB2 :: 1.529 HB3 :: 1.176 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.668 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 I 0.23 Y 0.19 E 0.13 F 0.12 M 0.01 V 0.01 C Shift Assignments>> C :: 178.678 CA :: 59.731 CB :: 37.161 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.169 HA :: 4.348 HB2 :: 3.123 HB3 :: 3.02 HD1 :: 7.407 HD2 :: 7.407 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.128 Ave N Shift Values>> N :: 120.52(4.2) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 179.041 CA :: 54.523 CB :: 18.059 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.054 HA :: 4.195 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.021 Ave N Shift Values>> N :: 123.23(3.54) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.26 C 0.23 R 0.07 E 0.06 M 0.02 C Shift Assignments>> C :: 176.33 CA :: 54.97 CB :: 28.434 CG :: 34.003 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.144 HA :: 4.529 HB2 :: 2.502 HB3 :: 2.107 HG2 :: 2.361 HG3 :: 2.361 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.306 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.883 CA :: 45.824 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.343 HA2 :: 4.325 HA3 :: 3.831 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.191 Ave N Shift Values>> N :: 109.67(3.87) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 C 0.14 H 0.13 W 0.13 E 0.13 M 0.09 K 0.09 Q 0.09 V 0.01 C Shift Assignments>> C :: 174.122 CA :: 57.146 CB :: 30.987 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.122 HA :: 4.244 HB2 :: 2.211 HB3 :: 2.211 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 120.67(3.48) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.33 L 0.1 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.19 CA :: 51.367 CB :: 40.373 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.925 HA :: 5.482 HB2 :: 2.722 HB3 :: 2.722 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.104 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.25 R 0.14 C 0.07 F 0.04 Y 0.02 D 0.02 C Shift Assignments>> C :: 173.286 CA :: 56.783 CB :: 44.706 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.307 HA :: 5.233 HB2 :: 3.478 HB3 :: 3.124 HD1 :: 7.353 HD2 :: 7.353 HE1 :: 6.83 HE2 :: 6.83 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.509 Ave N Shift Values>> N :: 120.45(4.18) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.218 CA :: 62.201 CB :: 33.681 CG1 :: 22.078 CG2 :: 21.391 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.151 HA :: 3.841 HB :: 1.924 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.055 Ave N Shift Values>> N :: 121.14(4.54) 1.V94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.26 CA :: 61.209 CB :: 33.075 CG1 :: 21.596 CG2 :: 21.232 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.862 HA :: 3.771 HB :: 0.787(S) HG11 :: 0.385 HG12 :: 0.385 HG13 :: 0.385 HG21 :: -0.279(S) HG22 :: -0.279(S) HG23 :: -0.279(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.475 Ave N Shift Values>> N :: 121.14(4.54) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.14 Y 0.14 F 0.12 D 0.11 L 0.03 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.773 CA :: 54.697 CB :: 38.272 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.965 HA :: 5.233 HB2 :: 2.949 HB3 :: 2.674 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 129.79 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.28 R 0.11 K 0.11 N 0.05 F 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 178.446 CA :: 53.29 CB :: 42.364 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.676 HA :: 4.865 HB2 :: 2.789 HB3 :: 2.567 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.62 Ave N Shift Values>> N :: 120.65(3.86) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.27 C Shift Assignments>> C :: 174.662 CA :: 64.62 CB :: 38.492 CG1 :: 25.118 CG2 :: 19.269 CD1 :: 15.291 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.403 HA :: 3.51 HB :: 1.645 HG12 :: 0.744 HG13 :: 0.012 HG21 :: 0.9 HG22 :: 0.9 HG23 :: 0.9 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.654 Ave N Shift Values>> N :: 121.46(4.28) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 C 0.24 Y 0.22 F 0.15 E 0.09 M 0.01 C Shift Assignments>> C :: 177.324 CA :: 59.664 CB :: 37.558 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.316 HA :: 4.391 HB2 :: 3.338 HB3 :: 3.338 HD1 :: 7.354 HD2 :: 7.354 HE1 :: 6.811 HE2 :: 6.811 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.785 Ave N Shift Values>> N :: 120.52(4.2) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.15 Q 0.13 W 0.12 C 0.12 E 0.11 M 0.09 K 0.07 C Shift Assignments>> C :: 176.207 CA :: 55.037 CB :: 30.261 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.506 HA :: 4.762 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.959 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.29 C Shift Assignments>> C :: 175.702 CA :: 61.241 CB :: 32.85 CG1 :: 21.47 CG2 :: 17.809 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.469 HA :: 4.47 HB :: 2.157 HG11 :: 0.642 HG12 :: 0.642 HG13 :: 0.642 HG21 :: 0.099 HG22 :: 0.099 HG23 :: 0.099 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.744 Ave N Shift Values>> N :: 121.14(4.54) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.715 CA :: 46.099 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.465 HA2 :: 4.063 HA3 :: 3.766 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.107 Ave N Shift Values>> N :: 109.67(3.87) 1.H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.15 H 0.14 R 0.14 K 0.12 W 0.08 Q 0.06 E 0.05 C Shift Assignments>> C :: 177.279 CA :: 54.009 CB :: 31.751 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.671 HA :: 5.219 HB2 :: 3.049 HB3 :: 3.049 HD2 :: 5.934 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.558 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y118 1.Y118 C Shift Assignments>> CA :: 57.122 CB :: 64.047 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.768 HB2 :: 4.796(S) HB3 :: 4.796(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.991 Ave N Shift Values>> N :: 116.28(3.52) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.62 P 0.25 C 0.09 I 0.02 C Shift Assignments>> C :: 178.619 CA :: 66.353 CB :: 31.69 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.28 HB2 :: 2.439 HB3 :: 1.984 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.C105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.14 E 0.14 K 0.12 Q 0.11 H 0.11 R 0.1 I 0.04 M 0.02 V 0.01 C Shift Assignments>> C :: 176.245 CA :: 58.391 CB :: 29.451 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.963 HA :: 3.901 HB2 :: 2.585 HB3 :: 2.585 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 111.425 Ave N Shift Values>> N :: 120.17(4.64) 1.H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.22 M 0.2 C 0.19 K 0.17 E 0.04 R 0.04 H 0.04 W 0.02 V 0.01 C Shift Assignments>> C :: 177.707 CA :: 56.451 CB :: 34.017 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.397 HA :: 4.249 HB2 :: 2.862 HB3 :: 2.862 HD2 :: 6.338 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.718 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.512 CA :: 64.651 CB :: 36.926 CG1 :: 28.766 CG2 :: 18.086 CD1 :: 12.035 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.004 HA :: 3.487 HB :: 2.129 HG12 :: 1.591 HG13 :: 1.052 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.426 Ave N Shift Values>> N :: 121.46(4.28) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.44 E 0.09 HN Overlap>> 1.T26 1.T26 C Shift Assignments>> C :: 180.118 CA :: 60.794 CB :: 29.673 CG :: 38.073 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.352 HA :: 4.174 HB2 :: 2.246 HB3 :: 2.246 HG2 :: 2.702 HG3 :: 2.702 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.287 Ave N Shift Values>> N :: 120.67(3.48) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.62 CA :: 65.921 CB :: 38.911 CG1 :: 29.589 CG2 :: 17.624 CD1 :: 15.304 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.629 HA :: 4.157 HB :: 2.056 HG12 :: 2.302 HG13 :: 1.25 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 HD11 :: 1.037 HD12 :: 1.037 HD13 :: 1.037 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.92 Ave N Shift Values>> N :: 121.46(4.28) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.36 K 0.11 HN Overlap>> 1.V172 1.V172 C Shift Assignments>> C :: 179.914 CA :: 58.744 CB :: 41.327 CD1 :: 26.56 CD2 :: 23.874 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.022 HA :: 3.932 HB2 :: 2.081 HB3 :: 1.211 HD11 :: 0.57 HD12 :: 0.57 HD13 :: 0.57 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.059 Ave N Shift Values>> N :: 121.86(3.9) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.17 E 0.13 R 0.1 H 0.1 Q 0.09 K 0.09 I 0.05 M 0.03 V 0.02 C Shift Assignments>> C :: 181.154 CA :: 59.039 CB :: 29.834 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.198 HA :: 3.976 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.338 Ave N Shift Values>> N :: 120.67(3.48) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 R 0.19 I 0.16 L 0.1 K 0.1 W 0.06 Q 0.06 H 0.03 E 0.03 C Shift Assignments>> C :: 176.456 CA :: 58.903 CB :: 26.398 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.935 HA :: 3.746 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 2.416 HG3 :: 2.416 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.778 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.22 C 0.2 I 0.1 E 0.06 D 0.03 N 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 174.071 CA :: 57.592 CB :: 38.235 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.828 HA :: 4.462 HB2 :: 2.98 HB3 :: 2.16 HD1 :: 7.096 HD2 :: 7.096 HE1 :: 7.31 HE2 :: 7.31 HZ :: 6.912 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 112.887 Ave N Shift Values>> N :: 120.45(4.18) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 C 0.18 L 0.15 K 0.1 I 0.09 Q 0.08 W 0.06 H 0.04 E 0.03 C Shift Assignments>> C :: 173.577 CA :: 58.019 CB :: 26.456 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.974 HA :: 3.822 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.43 Ave N Shift Values>> N :: 120.67(3.48) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 177.003 CA :: 64.47 CB :: 33.255 CG1 :: 24.796 CG2 :: 22.806 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.766 HA :: 3.564 HB :: 1.883 HG11 :: 1.226 HG12 :: 1.226 HG13 :: 1.226 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.102 Ave N Shift Values>> N :: 121.14(4.54) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.22 M 0.21 C 0.18 K 0.18 R 0.04 H 0.04 E 0.03 W 0.03 V 0.01 C Shift Assignments>> C :: 176.795 CA :: 56.221 CB :: 33.898 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.153 HA :: 4.632 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.098 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 K 0.18 C 0.13 A 0.03 C Shift Assignments>> C :: 175.965 CA :: 52.869 CB :: 23.978 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.661 HA :: 4.558 HB1 :: 1.823 HB2 :: 1.823 HB3 :: 1.823 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.995 Ave N Shift Values>> N :: 123.23(3.54) 1.Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.17 L 0.16 Y 0.13 R 0.07 C 0.07 D 0.07 I 0.02 HN Overlap>> 1.S103 1.S103 C Shift Assignments>> C :: 170.561 CA :: 57.672 CB :: 41.832 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.837 HA :: 5.781 HB2 :: 3.398 HB3 :: 2.389 HD1 :: 6.651 HD2 :: 6.651 HE1 :: 6.703 HE2 :: 6.703 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.063 Ave N Shift Values>> N :: 120.52(4.2) 1.V119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 173.207 CA :: 59.709 CB :: 35.125 CG1 :: 21.933 CG2 :: 20.47 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.501 HA :: 4.697 HB :: 0.865(S) HG11 :: 0.363 HG12 :: 0.363 HG13 :: 0.363 HG21 :: -0.476(S) HG22 :: -0.476(S) HG23 :: -0.476(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.83 Ave N Shift Values>> N :: 121.14(4.54) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.12 A 0.03 C Shift Assignments>> C :: 175.799 CA :: 58.135 CB :: 38.69 CG1 :: 27 CG2 :: 20.637 CD1 :: 10.898 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.133 HA :: 4.98 HB :: 2.516 HG12 :: 1.808 HG13 :: 1.808 HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.06 Ave N Shift Values>> N :: 121.46(4.28) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.19 A 0.11 C Shift Assignments>> C :: 173.069 CA :: 56.894 CB :: 32.287 CG1 :: 20.526 CG2 :: 19.8 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.761 HA :: 5.502 HB :: 2.47 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.284 Ave N Shift Values>> N :: 121.14(4.54) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.23 T 0.22 I 0.18 P 0.13 S 0.08 C 0.05 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 176.074 CA :: 62.438 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.712 HB2 :: 2.349 HB3 :: 1.983 HD2 :: 4.374 HD3 :: 4.143 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.41 C 0.27 P 0.12 K 0.04 W 0.03 Q 0.02 M 0.02 R 0.01 H 0.01 I 0.01 HN Overlap>> 1.F23 1.F23 C Shift Assignments>> C :: 174.559 CA :: 61.655 CB :: 33.258 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.262 HA :: 4.177 HB :: 1.963 HG11 :: 0.82 HG12 :: 0.82 HG13 :: 0.82 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.689 Ave N Shift Values>> N :: 121.14(4.54) 1.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.09 L 0.07 D 0.06 K 0.02 C Shift Assignments>> C :: 175.278 CA :: 58.171 CB :: 40.171 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.455 HA :: 5.139 HB2 :: 3.126 HB3 :: 3.031 HD1 :: 7.17 HD2 :: 7.17 HE1 :: 7.413 HE2 :: 7.413 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.866 Ave N Shift Values>> N :: 120.45(4.18) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.02 C 0.01 C Shift Assignments>> C :: 177.15 CA :: 50.037 CB :: 19.476 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.993 HA :: 4.705 HB1 :: 1.261 HB2 :: 1.261 HB3 :: 1.261 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.438 Ave N Shift Values>> N :: 123.23(3.54) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.856 CA :: 46.892 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.87 HA2 :: 4.041 HA3 :: 3.645 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.891 Ave N Shift Values>> N :: 109.67(3.87) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 K 0.09 Q 0.06 M 0.05 I 0.04 C Shift Assignments>> C :: 176.007 CA :: 56.944 CB :: 29.806 CG :: 36.197 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.033 HA :: 4.293 HB2 :: 2.284 HB3 :: 2.031 HG2 :: 2.3 HG3 :: 2.3 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.673 Ave N Shift Values>> N :: 120.67(3.48) 1.Q128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 Q 0.27 C 0.24 K 0.08 E 0.04 C Shift Assignments>> C :: 174.995 CA :: 54.81 CB :: 31.005 CG :: 33.551 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.791 HA :: 4.669 HB2 :: 2.307 HB3 :: 2.195 HG2 :: 2.39 HG3 :: 2.39 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.183 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.33 A 0.04 R 0.01 HN Overlap>> 1.V39 1.V39 C Shift Assignments>> C :: 173.344 CA :: 55.749 CB :: 40.459 CG :: 27.196 CD1 :: 23.016 CD2 :: 27.427 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.042 HA :: 3.806 HB2 :: 2.076 HB3 :: 1.181 HG :: 1.589 HD11 :: 0.56 HD12 :: 0.56 HD13 :: 0.56 HD21 :: 0.745 HD22 :: 0.745 HD23 :: 0.745 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.274 Ave N Shift Values>> N :: 121.86(3.9) 1.W130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.16 W 0.12 K 0.09 R 0.09 E 0.07 H 0.07 M 0.06 Q 0.02 P 0.02 I 0.01 C Shift Assignments>> C :: 177.578 CA :: 59.93 CB :: 31.834 CE2 :: 139.183 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.188 HA :: 4.368 HB2 :: 3.217 HB3 :: 3.217 HD1 :: 7.259 HE1 :: 10.257 HZ2 :: 7.488 HZ3 :: 6.554 HH2 :: 6.739 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 132.549 NE1 :: 129.541 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 170.381 CA :: 47.174 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.427 HA2 :: 4.773 HA3 :: 3.848 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.183 Ave N Shift Values>> N :: 109.67(3.87) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.31 C 0.11 A 0.02 C Shift Assignments>> C :: 174.502 CA :: 53.186 CB :: 45.598 CG :: 26.482 CD1 :: 24.545 CD2 :: 23.774 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.272 HA :: 5.085 HB2 :: 1.199 HB3 :: 1.199 HG :: 1.134 HD11 :: 0.114 HD12 :: 0.114 HD13 :: 0.114 HD21 :: 0.532 HD22 :: 0.532 HD23 :: 0.532 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.296 Ave N Shift Values>> N :: 121.86(3.9) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.27 C 0.24 R 0.16 A 0.02 C Shift Assignments>> C :: 172.622 CA :: 54.178 CB :: 44.135 CG :: 27.44 CD1 :: 23.702 CD2 :: 27.016 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.954 HA :: 5.005 HB2 :: 1.78 HB3 :: 0.901 HG :: 1.311 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.097 Ave N Shift Values>> N :: 121.86(3.9) 1.A134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.79 L 0.09 C 0.06 K 0.02 R 0.01 C Shift Assignments>> C :: 174.418 CA :: 50.151 CB :: 25.467(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.899 HA :: 5.372 HB1 :: 1.131 HB2 :: 1.131 HB3 :: 1.131 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.268 Ave N Shift Values>> N :: 123.23(3.54) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 L 0.28 C 0.13 K 0.01 C Shift Assignments>> C :: 174.884 CA :: 50.315 CB :: 22.492 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.82 HA :: 5.094 HB1 :: 1.145 HB2 :: 1.145 HB3 :: 1.145 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.104 Ave N Shift Values>> N :: 123.23(3.54) 1.Y136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 K 0.2 L 0.16 F 0.15 Y 0.1 C 0.07 D 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 175.579 CA :: 58.041 CB :: 42.529 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.207 HA :: 5.419 HB2 :: 3.058 HB3 :: 2.886 HD1 :: 6.838 HD2 :: 6.838 HE1 :: 6.742 HE2 :: 6.742 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.018 Ave N Shift Values>> N :: 120.52(4.2) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.31 Q 0.18 E 0.05 K 0.01 C Shift Assignments>> C :: 173.581 CA :: 55.691 CB :: 32.118 CG :: 33.845 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.653 HA :: 4.515 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 2.317 HG3 :: 2.317 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.357 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.51 C 0.21 M 0.08 E 0.06 Y 0.04 F 0.02 D 0.02 K 0.01 C Shift Assignments>> C :: 176.362 CA :: 52.23 CB :: 36.577 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 11.362(S) HA :: 5.179 HB2 :: 1.63(S) HB3 :: 0.548(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 128.553 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.462 CA :: 59.473 CB :: 63.474 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.162 HA :: 4.403 HB2 :: 3.88 HB3 :: 3.88 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.49 Ave N Shift Values>> N :: 116.28(3.52) 1.G140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.923 CA :: 44.584 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.186 HA2 :: 4.053 HA3 :: 4.053 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.741 Ave N Shift Values>> N :: 109.67(3.87) 1.T141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.39 CA :: 62.482 CB :: 69.33 CG2 :: 22.572 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.651 HA :: 3.968 HB :: 4.579 HG21 :: 1.377 HG22 :: 1.377 HG23 :: 1.377 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.683 Ave N Shift Values>> N :: 115.42(4.75) 1.R142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 R 0.36 G 0.04 HN Overlap>> 1.L169 1.L169 C Shift Assignments>> C :: 171.613 CA :: 55.975 CB :: 33.105 CG :: 25.383 CD :: 42.806 CZ :: 158.721 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.971 HA :: 3.944 HB2 :: 0.717(S) HB3 :: 0.44(S) HG2 :: -0.293(S) HG3 :: -0.293(S) HD2 :: 2.179(S) HD3 :: 2.179(S) HE :: 7.177 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.761 NE :: 87.719 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.14 C 0.08 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 176.12 CA :: 51.549 CB :: 38.699 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.134 HA :: 4.688 HB2 :: 2.504 HB3 :: 2.362 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.564 Ave N Shift Values>> N :: 120.65(3.86) 1.W144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.14 W 0.13 E 0.13 H 0.13 C 0.12 R 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 176.207 CA :: 56.974 CB :: 29.252 CE2 :: 138.912 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.201 HA :: 4.422 HB2 :: 2.885 HB3 :: 2.718 HD1 :: 7.307 HE1 :: 8.5 HE3 :: 6.66 HZ2 :: 6.898 HH2 :: 6.697 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.752 NE1 :: 127.459 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.25 R 0.19 D 0.11 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 177.332 CA :: 53.34 CB :: 43.948 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.565 HA :: 4.886 HB2 :: 2.882 HB3 :: 2.598 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.923 Ave N Shift Values>> N :: 120.65(3.86) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.3 I 0.16 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.821 CA :: 60.253 CB :: 29.757 CG :: 35.937 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.004 HA :: 4.015 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.369 HG3 :: 2.369 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.722 Ave N Shift Values>> N :: 120.67(3.48) 1.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.215 CA :: 61.7 CB :: 62.507 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.892 HA :: 4.234 HB2 :: 3.98 HB3 :: 3.98 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.491 Ave N Shift Values>> N :: 116.28(3.52) 1.E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 I 0.11 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.572 CA :: 59.115 CB :: 29.673 CG :: 36.094 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.751 HA :: 4.055 HB2 :: 2.125 HB3 :: 2.125 HG2 :: 2.362 HG3 :: 2.362 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.885 Ave N Shift Values>> N :: 120.67(3.48) 1.V149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.67 CA :: 67.082 CB :: 31.983 CG1 :: 20.541 CG2 :: 22.445 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.797 HA :: 3.331 HB :: 2.151 HG11 :: 0.801 HG12 :: 0.801 HG13 :: 0.801 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.686 Ave N Shift Values>> N :: 121.14(4.54) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> C :: 176.745 CA :: 66.586 CB :: 68.797 CG2 :: 21.934 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.426 HA :: 3.913 HB :: 4.208 HG21 :: 1.273 HG22 :: 1.273 HG23 :: 1.273 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.257 Ave N Shift Values>> N :: 115.42(4.75) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.46 R 0.04 C Shift Assignments>> C :: 178.149 CA :: 58.797 CB :: 41.776 CG :: 27.407 CD1 :: 24.472 CD2 :: 25.407 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.646 HA :: 4.11 HB2 :: 1.89 HB3 :: 1.89 HG :: 1.676 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 HD21 :: 0.93 HD22 :: 0.93 HD23 :: 0.93 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.458 Ave N Shift Values>> N :: 121.86(3.9) 1.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.44 R 0.05 HN Overlap>> 1.Q171 1.Q171 C Shift Assignments>> C :: 178.464 CA :: 58.349 CB :: 41.777 CG :: 26.451 CD1 :: 25.218 CD2 :: 26.474 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.088 HA :: 3.851 HB2 :: 1.819 HB3 :: 1.482 HG :: 1.576 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.627 HD22 :: 0.627 HD23 :: 0.627 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.261 Ave N Shift Values>> N :: 121.86(3.9) 1.A153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 181.031 CA :: 55.148 CB :: 17.958 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.824 HA :: 4.148 HB1 :: 1.629 HB2 :: 1.629 HB3 :: 1.629 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.19 Ave N Shift Values>> N :: 123.23(3.54) 1.R154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.38 G 0.11 K 0.02 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> C :: 179.76 CA :: 59.741 CB :: 29.849 CG :: 26.766 CD :: 43.665 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.423 HA :: 4.219 HB2 :: 2.119 HB3 :: 2.119 HG2 :: 1.688 HG3 :: 1.688 HD2 :: 3.242 HD3 :: 3.242 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.516 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 178.644 CA :: 64.946 CB :: 36.515 CG2 :: 17.645 CD1 :: 12.705 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5 HA :: 3.763 HB :: 1.972 HG12 :: 1.701 HG13 :: 1.29 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.512 Ave N Shift Values>> N :: 121.46(4.28) 1.G156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 P 0.21 C 0.1 A 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.771 CA :: 48.013 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.132 HA2 :: 3.674 HA3 :: 3.674 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.304 Ave N Shift Values>> N :: 109.67(3.87) 1.N157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.23 C 0.15 D 0.12 N 0.11 L 0.06 I 0.04 E 0.01 C Shift Assignments>> C :: 178.298 CA :: 56.297 CB :: 38.994 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.165 HA :: 4.985 HB2 :: 3.097 HB3 :: 3.037 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.889 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.22 E 0.07 R 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 178.829 CA :: 58.895 CB :: 28.297 CG :: 34.105 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.325 HA :: 4.028 HB2 :: 2.224 HB3 :: 2.224 HG2 :: 2.525 HG3 :: 2.525 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.839 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.44 K 0.01 C Shift Assignments>> C :: 177.819 CA :: 57.941 CB :: 41.341 CD1 :: 23.638 CD2 :: 25.539 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.888 HA :: 4.094 HB2 :: 2.033 HB3 :: 1.667 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.968 Ave N Shift Values>> N :: 121.86(3.9) 1.G160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 P 0.13 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 176.008 CA :: 47.867 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.129 HA2 :: 4.241 HA3 :: 3.205 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.234 Ave N Shift Values>> N :: 109.67(3.87) 1.L161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.03 C Shift Assignments>> C :: 179.976 CA :: 57.955 CB :: 41.99 CG :: 27.229 CD1 :: 25.026 CD2 :: 23.745 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.922 HA :: 4.25 HB2 :: 1.863 HB3 :: 1.589 HG :: 1.644 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.094 Ave N Shift Values>> N :: 121.86(3.9) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.42 I 0.02 C 0.02 C Shift Assignments>> C :: 180.933 CA :: 54.796 CB :: 17.899 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.987 HA :: 4.13 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.544 Ave N Shift Values>> N :: 123.23(3.54) 1.L163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.53 C 0.43 A 0.03 C Shift Assignments>> C :: 179.179 CA :: 57.008 CB :: 41.384 CG :: 26.05 CD1 :: 23.264 CD2 :: 22.001 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.187 HA :: 3.841 HB2 :: 1.499 HB3 :: 0.846 HG :: 1.375 HD11 :: -0.677(S) HD12 :: -0.677(S) HD13 :: -0.677(S) HD21 :: 0.381 HD22 :: 0.381 HD23 :: 0.381 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.056 Ave N Shift Values>> N :: 121.86(3.9) 1.Q164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.24 E 0.1 M 0.04 R 0.01 I 0.01 C Shift Assignments>> C :: 177.432 CA :: 58.34 CB :: 29.456 CG :: 34.044 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.021 HA :: 4.123 HB2 :: 2.131 HB3 :: 2.131 HG2 :: 2.331 HG3 :: 2.331 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.205 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 C 0.26 E 0.07 R 0.04 M 0.04 C Shift Assignments>> C :: 177.108 CA :: 57.099 CB :: 29.022 CG :: 33.803 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.88 HA :: 4.3 HB2 :: 2.198 HB3 :: 2.198 HG2 :: 2.5 HG3 :: 2.5 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.285 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.44 CA :: 64.127 CB :: 69.82 CG2 :: 21.751 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.894 HA :: 4.223 HB :: 4.171 HG21 :: 1.19 HG22 :: 1.19 HG23 :: 1.19 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.314 Ave N Shift Values>> N :: 115.42(4.75) 1.E167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.1 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 177.437 CA :: 58.201 CB :: 29.575 CG :: 36.407 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.288 HA :: 4.201 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.236 HG3 :: 2.236 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 120.67(3.48) 1.Y168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.22 I 0.22 C 0.2 E 0.03 C Shift Assignments>> C :: 176.611 CA :: 59.201 CB :: 38.378 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.009 HA :: 4.482 HB2 :: 3.095 HB3 :: 3.095 HD1 :: 7.12 HD2 :: 7.12 HE1 :: 6.844 HE2 :: 6.844 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.875 Ave N Shift Values>> N :: 120.52(4.2) 1.L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.04 HN Overlap>> 1.R142 1.R142 C Shift Assignments>> C :: 178.017 CA :: 56.167 CB :: 42.016 CG :: 27 CD1 :: 25.14 CD2 :: 23.512 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.941 HA :: 4.178 HB2 :: 1.73 HB3 :: 1.591 HG :: 1.633 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.842 Ave N Shift Values>> N :: 121.86(3.9) 1.Q170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.09 R 0.04 M 0.03 C Shift Assignments>> C :: 176.803 CA :: 56.763 CB :: 29.026 CG :: 33.999 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.077 HA :: 4.231 HB2 :: 2.105 HB3 :: 2.105 HG2 :: 2.43 HG3 :: 2.43 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.903 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.08 M 0.04 R 0.03 HN Overlap>> 1.V172 1.V172 1.L152 1.L152 C Shift Assignments>> C :: 176.766 CA :: 56.67 CB :: 29.108 CG :: 33.9 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.157 HA :: 4.301 HB2 :: 2.091 HB3 :: 2.091 HG2 :: 2.407 HG3 :: 2.407 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.187 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> 1.Q171 1.L110 1.Q171 1.L110 C Shift Assignments>> C :: 176.721 CA :: 63.031 CB :: 32.52 CG1 :: 21.178 CG2 :: 20.825 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.071 HA :: 4.046 HB :: 2.056 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.137 Ave N Shift Values>> N :: 121.14(4.54) 1.Q173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.08 M 0.04 R 0.03 C Shift Assignments>> C :: 176.786 CA :: 56.485 CB :: 29.223 CG :: 33.866 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.369 HA :: 4.308 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.406 HG3 :: 2.406 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.899 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.28 CA :: 45.515 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.362 HA2 :: 3.978 HA3 :: 3.978 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.618 Ave N Shift Values>> N :: 109.67(3.87) 1.Q175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.24 M 0.07 E 0.07 R 0.02 C Shift Assignments>> C :: 176.156 CA :: 55.955 CB :: 29.524 CG :: 33.824 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.212 HA :: 4.396 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.377 HG3 :: 2.377 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.69 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.07 CA :: 58.446 CB :: 63.982 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.358 HA :: 4.435 HB2 :: 3.877 HB3 :: 3.877 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.942 Ave N Shift Values>> N :: 116.28(3.52) 1.A177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 177.295 CA :: 52.388 CB :: 19.319 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.302 HA :: 4.336 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.875 Ave N Shift Values>> N :: 123.23(3.54) 1.K178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.3 R 0.11 G 0.01 C Shift Assignments>> C :: 174.585 CA :: 54.158 CB :: 32.729 CG :: 24.526 CD :: 29.173 CE :: 42.194 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.301 HA :: 4.616 HB3 :: 1.819 HG2 :: 1.471 HG3 :: 1.471 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 3.014 HE3 :: 3.014 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.153 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.416 CA :: 63.459 CB :: 32.146 CG :: 27.271 CD :: 50.72 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.445 HB3 :: 2.182 HG2 :: 2.04 HG3 :: 2.04 HD2 :: 3.823 HD3 :: 3.679 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 179.037 CA :: 46.158 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.015 HA2 :: 3.766 HA3 :: 3.766 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.486 Ave N Shift Values>> N :: 109.67(3.87) 2.CYC1 Overall Status: Residue type CYC not supported. ########################################################################### Overall Results: #Consistent: 168 #Clerical: 0 #Suspicious: 12 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 164 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 16 Shift Relative Order (SRO) Results: #Consistent: 180 #Suspicious: 0 C Shift Results: #Consistent: 627 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1005 #Duplicate: 0 #Unknown: 0 #Suspicious: 35 #Anomalous: 0 N Shift Results: #Consistent: 165 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A40 CB = 25.608(S), Expected = 19.01, Std = 1.8300, ChiSquare = 3.1160e-04 1.R43 HB3 = 0.729(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.3128e-04 1.R43 HG2 = -0.002(S), Expected = 1.57, Std = 0.2700, ChiSquare = 5.8070e-09 1.R43 HG3 = -0.002(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.0535e-07 1.E55 HA = 5.692(S), Expected = 4.25, Std = 0.4100, ChiSquare = 4.3633e-04 1.L64 HD11 = -0.513(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4610e-06 1.L64 HD12 = -0.513(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4610e-06 1.L64 HD13 = -0.513(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4610e-06 1.L64 HD21 = -0.806(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.1801e-07 1.L64 HD22 = -0.806(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.1801e-07 1.L64 HD23 = -0.806(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.1801e-07 1.Q82 HA = 2.481(S), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7846e-05 1.Q82 HB2 = 0.297(S), Expected = 2.05, Std = 0.2500, ChiSquare = 2.3494e-12 1.Q82 HB3 = 0.297(S), Expected = 2.02, Std = 0.2800, ChiSquare = 7.5757e-10 1.V94 HB = 0.787(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.9291e-04 1.V94 HG21 = -0.279(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1641e-04 1.V94 HG22 = -0.279(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1641e-04 1.V94 HG23 = -0.279(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1641e-04 1.S103 HB2 = 4.796(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.4831e-04 1.S103 HB3 = 4.796(S), Expected = 3.85, Std = 0.2700, ChiSquare = 4.5884e-04 1.V119 HB = 0.865(S), Expected = 1.98, Std = 0.3200, ChiSquare = 4.9329e-04 1.V119 HG21 = -0.476(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.1854e-06 1.V119 HG22 = -0.476(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.1854e-06 1.V119 HG23 = -0.476(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.1854e-06 1.A134 CB = 25.467(S), Expected = 19.01, Std = 1.8300, ChiSquare = 4.1806e-04 1.N138 H = 11.362(S), Expected = 8.34, Std = 0.6300, ChiSquare = 1.6120e-06 1.N138 HB2 = 1.63(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.4097e-04 1.N138 HB3 = 0.548(S), Expected = 2.75, Std = 0.3300, ChiSquare = 2.5109e-11 1.R142 HB2 = 0.717(S), Expected = 1.79, Std = 0.2700, ChiSquare = 7.0654e-05 1.R142 HB3 = 0.44(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.4256e-06 1.R142 HG2 = -0.293(S), Expected = 1.57, Std = 0.2700, ChiSquare = 5.2003e-12 1.R142 HG3 = -0.293(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.6040e-10 1.R142 HD2 = 2.179(S), Expected = 3.12, Std = 0.2400, ChiSquare = 8.8243e-05 1.R142 HD3 = 2.179(S), Expected = 3.10, Std = 0.2600, ChiSquare = 3.9664e-04 1.L163 HD11 = -0.677(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.4612e-07 1.L163 HD12 = -0.677(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.4612e-07 1.L163 HD13 = -0.677(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.4612e-07